# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2017

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
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data_4813
_database_code_depnum_ccdc_archive 'CCDC 1526599'
_audit_update_record             
;
2017-01-10 deposited with the CCDC.
2017-02-03 downloaded from the CCDC.
;
_audit_creation_date             2016-09-02
_audit_creation_method           
;
Olex2 1.2
(compiled 2016.08.25 svn.r3337 for OlexSys, GUI svn.r5221)
;
_chemical_name_common            ?
_chemical_name_systematic        PB-47
_chemical_formula_moiety         'C30 H23 F6 Ge O7 P W'
_chemical_formula_sum            'C30 H23 F6 Ge O7 P W'
_chemical_formula_weight         896.89
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ge Ge 0.1547 1.8001 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
W W -0.8490 6.8722 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   9.0079(2)
_cell_length_b                   13.1369(3)
_cell_length_c                   13.2698(2)
_cell_angle_alpha                92.8970(10)
_cell_angle_beta                 97.6730(10)
_cell_angle_gamma                90.1710(10)
_cell_volume                     1554.17(5)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    8272
_cell_measurement_temperature    123(2)
_cell_measurement_theta_max      29.13
_cell_measurement_theta_min      1.00
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    4.798
_exptl_absorpt_correction_T_max  0.7795
_exptl_absorpt_correction_T_min  0.3452
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear colourless'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.917
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       plate
_exptl_crystal_F_000             868
_exptl_crystal_size_max          0.3
_exptl_crystal_size_mid          0.22
_exptl_crystal_size_min          0.04
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0689
_diffrn_reflns_av_unetI/netI     0.0401
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            36507
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        26.000
_diffrn_reflns_theta_max         27.998
_diffrn_reflns_theta_min         2.926
_diffrn_ambient_temperature      123(2)
_diffrn_detector_area_resol_mean 8
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Nonius KappaCCD'
_diffrn_measurement_method       'fine slicing ω and φ scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'sealed tube'
_diffrn_special_details          ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                6878
_reflns_number_total             7498
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       ?
_computing_data_collection       ?
_computing_data_reduction        ?
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL (Sheldrick, 2008)'
_computing_structure_solution    'XT (Sheldrick, 2015)'
_refine_diff_density_max         1.240
_refine_diff_density_min         -1.625
_refine_diff_density_rms         0.125
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.059
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     417
_refine_ls_number_reflns         7498
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0304
_refine_ls_R_factor_gt           0.0263
_refine_ls_restrained_S_all      1.059
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0262P)²+1.2297P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0611
_refine_ls_wR_factor_ref         0.0628
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Secondary CH2 refined with riding coordinates:
 C2(H2A,H2B)
2.b Aromatic/amide H refined with riding coordinates:
 C9(H9), C10(H10), C11(H11), C12(H12), C13(H13), C15(H15), C16(H16), C17(H17),
 C18(H18), C19(H19), C21(H21), C22(H22), C23(H23), C24(H24), C25(H25)
2.c Idealised Me refined as rotating group:
 C5(H5A,H5B,H5C), C6(H6A,H6B,H6C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
W W 0.72773(2) 0.32424(2) 0.45300(2) 0.01793(4) Uani 1 1 d . . . . .
Ge Ge 0.95603(4) 0.10821(3) 0.26325(3) 0.02559(8) Uani 1 1 d . . . . .
P P 0.70893(8) 0.26261(6) 0.26685(5) 0.01565(14) Uani 1 1 d . . . . .
F1 F 0.4844(2) -0.03237(18) 0.11318(17) 0.0445(5) Uani 1 1 d . . . . .
F2 F 0.7069(2) 0.00823(15) 0.08835(15) 0.0345(5) Uani 1 1 d . . . . .
F3 F 0.6715(3) -0.12308(15) 0.17154(17) 0.0489(6) Uani 1 1 d . . . . .
F4 F 0.4178(2) -0.01733(18) 0.30218(18) 0.0447(5) Uani 1 1 d . . . . .
F5 F 0.6144(3) -0.09856(16) 0.36041(17) 0.0433(5) Uani 1 1 d . . . . .
F6 F 0.5767(3) 0.05162(16) 0.42106(15) 0.0419(5) Uani 1 1 d . . . . .
O1 O 0.8664(2) 0.22716(16) 0.23194(15) 0.0197(4) Uani 1 1 d . . . . .
O2 O 0.8002(2) 0.03685(16) 0.29719(17) 0.0254(5) Uani 1 1 d . . . . .
O3 O 0.7348(3) 0.4113(2) 0.67867(17) 0.0389(6) Uani 1 1 d . . . . .
O4 O 0.3973(3) 0.2428(2) 0.4627(2) 0.0380(6) Uani 1 1 d . . . . .
O5 O 0.8541(4) 0.1249(2) 0.5571(2) 0.0541(8) Uani 1 1 d . . . . .
O6 O 1.0621(2) 0.3981(2) 0.44246(18) 0.0310(5) Uani 1 1 d . . . . .
O7 O 0.6071(3) 0.54998(18) 0.43078(16) 0.0275(5) Uani 1 1 d . . . . .
C1 C 0.6489(3) 0.0408(2) 0.2562(2) 0.0212(6) Uani 1 1 d . . . . .
C2 C 0.5842(3) 0.1482(2) 0.2320(2) 0.0193(6) Uani 1 1 d . . . . .
H2A H 0.4944 0.1576 0.2670 0.023 Uiso 1 1 calc R . . . .
H2B H 0.5500 0.1478 0.1579 0.023 Uiso 1 1 calc R . . . .
C3 C 0.6263(4) -0.0283(3) 0.1572(3) 0.0310(7) Uani 1 1 d . . . . .
C4 C 0.5645(4) -0.0072(3) 0.3360(3) 0.0316(7) Uani 1 1 d . . . . .
C5 C 1.0303(4) 0.0523(3) 0.1429(3) 0.0438(10) Uani 1 1 d . . . . .
H5A H 0.9786 0.0840 0.0829 0.066 Uiso 1 1 calc GR . . . .
H5B H 1.0120 -0.0214 0.1365 0.066 Uiso 1 1 calc GR . . . .
H5C H 1.1382 0.0660 0.1481 0.066 Uiso 1 1 calc GR . . . .
C6 C 1.0979(4) 0.1201(3) 0.3840(3) 0.0386(9) Uani 1 1 d . . . . .
H6A H 1.1996 0.1152 0.3657 0.058 Uiso 1 1 calc GR . . . .
H6B H 1.0808 0.0651 0.4284 0.058 Uiso 1 1 calc GR . . . .
H6C H 1.0862 0.1861 0.4197 0.058 Uiso 1 1 calc GR . . . .
C7 C 0.6370(3) 0.3547(2) 0.1597(2) 0.0164(5) Uani 1 1 d . . . . .
C8 C 0.7125(3) 0.3327(2) 0.0629(2) 0.0179(6) Uani 1 1 d . . . . .
C9 C 0.7170(3) 0.2352(2) 0.0169(2) 0.0231(6) Uani 1 1 d . . . . .
H9 H 0.6745 0.1798 0.0469 0.028 Uiso 1 1 calc R . . . .
C10 C 0.7818(4) 0.2166(3) -0.0713(2) 0.0271(7) Uani 1 1 d . . . . .
H10 H 0.7832 0.1491 -0.1005 0.033 Uiso 1 1 calc R . . . .
C11 C 0.8440(3) 0.2952(3) -0.1168(2) 0.0262(7) Uani 1 1 d . . . . .
H11 H 0.8901 0.2823 -0.1764 0.031 Uiso 1 1 calc R . . . .
C12 C 0.8387(3) 0.3931(3) -0.0746(2) 0.0262(7) Uani 1 1 d . . . . .
H12 H 0.8795 0.4480 -0.1063 0.031 Uiso 1 1 calc R . . . .
C13 C 0.7738(3) 0.4120(2) 0.0143(2) 0.0208(6) Uani 1 1 d . . . . .
H13 H 0.7712 0.4798 0.0423 0.025 Uiso 1 1 calc R . . . .
C14 C 0.4657(3) 0.3388(2) 0.1394(2) 0.0163(5) Uani 1 1 d . . . . .
C15 C 0.3902(3) 0.3094(2) 0.0433(2) 0.0216(6) Uani 1 1 d . . . . .
H15 H 0.4452 0.2986 -0.0125 0.026 Uiso 1 1 calc R . . . .
C16 C 0.2353(3) 0.2955(3) 0.0286(2) 0.0272(7) Uani 1 1 d . . . . .
H16 H 0.1856 0.2760 -0.0373 0.033 Uiso 1 1 calc R . . . .
C17 C 0.1536(3) 0.3099(3) 0.1088(2) 0.0253(6) Uani 1 1 d . . . . .
H17 H 0.0481 0.2996 0.0985 0.030 Uiso 1 1 calc R . . . .
C18 C 0.2261(3) 0.3395(2) 0.2046(2) 0.0232(6) Uani 1 1 d . . . . .
H18 H 0.1705 0.3494 0.2602 0.028 Uiso 1 1 calc R . . . .
C19 C 0.3800(3) 0.3547(2) 0.2190(2) 0.0196(6) Uani 1 1 d . . . . .
H19 H 0.4283 0.3763 0.2847 0.024 Uiso 1 1 calc R . . . .
C20 C 0.6773(3) 0.4640(2) 0.2003(2) 0.0168(5) Uani 1 1 d . . . . .
C21 C 0.5748(3) 0.5432(2) 0.1908(2) 0.0193(6) Uani 1 1 d . . . . .
H21 H 0.4743 0.5293 0.1615 0.023 Uiso 1 1 calc R . . . .
C22 C 0.6182(4) 0.6428(2) 0.2239(2) 0.0242(6) Uani 1 1 d . . . . .
H22 H 0.5471 0.6961 0.2171 0.029 Uiso 1 1 calc R . . . .
C23 C 0.7644(4) 0.6640(2) 0.2665(2) 0.0257(6) Uani 1 1 d . . . . .
H23 H 0.7934 0.7316 0.2899 0.031 Uiso 1 1 calc R . . . .
C24 C 0.8683(3) 0.5862(2) 0.2750(2) 0.0244(6) Uani 1 1 d . . . . .
H24 H 0.9690 0.6007 0.3037 0.029 Uiso 1 1 calc R . . . .
C25 C 0.8257(3) 0.4875(2) 0.2415(2) 0.0197(6) Uani 1 1 d . . . . .
H25 H 0.8982 0.4349 0.2464 0.024 Uiso 1 1 calc R . . . .
C26 C 0.7347(3) 0.3773(3) 0.5974(2) 0.0241(6) Uani 1 1 d . . . . .
C27 C 0.5156(4) 0.2720(3) 0.4583(2) 0.0249(6) Uani 1 1 d . . . . .
C28 C 0.8079(4) 0.1926(3) 0.5127(3) 0.0315(7) Uani 1 1 d . . . . .
C29 C 0.9411(3) 0.3725(3) 0.4461(2) 0.0225(6) Uani 1 1 d . . . . .
C30 C 0.6502(3) 0.4686(2) 0.4291(2) 0.0190(6) Uani 1 1 d . . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
W P 2.5439(7) . ?
W C26 1.998(3) . ?
W C27 2.040(3) . ?
W C28 2.032(3) . ?
W C29 2.037(3) . ?
W C30 2.048(3) . ?
Ge O1 1.803(2) . ?
Ge O2 1.804(2) . ?
Ge C5 1.926(4) . ?
Ge C6 1.911(4) . ?
P O1 1.613(2) . ?
P C2 1.875(3) . ?
P C7 1.959(3) . ?
F1 C3 1.333(4) . ?
F2 C3 1.346(4) . ?
F3 C3 1.326(4) . ?
F4 C4 1.342(4) . ?
F5 C4 1.323(4) . ?
F6 C4 1.327(4) . ?
O2 C1 1.401(4) . ?
O3 C26 1.146(4) . ?
O4 C27 1.140(4) . ?
O5 C28 1.141(4) . ?
O6 C29 1.148(4) . ?
O7 C30 1.139(4) . ?
C1 C2 1.561(4) . ?
C1 C3 1.549(4) . ?
C1 C4 1.541(4) . ?
C2 H2A 0.9900 . ?
C2 H2B 0.9900 . ?
C5 H5A 0.9800 . ?
C5 H5B 0.9800 . ?
C5 H5C 0.9800 . ?
C6 H6A 0.9800 . ?
C6 H6B 0.9800 . ?
C6 H6C 0.9800 . ?
C7 C8 1.547(4) . ?
C7 C14 1.542(4) . ?
C7 C20 1.532(4) . ?
C8 C9 1.394(4) . ?
C8 C13 1.401(4) . ?
C9 H9 0.9500 . ?
C9 C10 1.387(4) . ?
C10 H10 0.9500 . ?
C10 C11 1.377(5) . ?
C11 H11 0.9500 . ?
C11 C12 1.379(5) . ?
C12 H12 0.9500 . ?
C12 C13 1.397(4) . ?
C13 H13 0.9500 . ?
C14 C15 1.398(4) . ?
C14 C19 1.398(4) . ?
C15 H15 0.9500 . ?
C15 C16 1.392(4) . ?
C16 H16 0.9500 . ?
C16 C17 1.379(4) . ?
C17 H17 0.9500 . ?
C17 C18 1.386(4) . ?
C18 H18 0.9500 . ?
C18 C19 1.386(4) . ?
C19 H19 0.9500 . ?
C20 C21 1.393(4) . ?
C20 C25 1.403(4) . ?
C21 H21 0.9500 . ?
C21 C22 1.396(4) . ?
C22 H22 0.9500 . ?
C22 C23 1.384(5) . ?
C23 H23 0.9500 . ?
C23 C24 1.387(5) . ?
C24 H24 0.9500 . ?
C24 C25 1.386(4) . ?
C25 H25 0.9500 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C26 W P 177.27(9) . . ?
C26 W C27 88.69(12) . . ?
C26 W C28 85.72(14) . . ?
C26 W C29 92.35(12) . . ?
C26 W C30 80.43(12) . . ?
C27 W P 90.12(8) . . ?
C27 W C30 91.00(12) . . ?
C28 W P 96.72(10) . . ?
C28 W C27 88.84(14) . . ?
C28 W C29 90.00(14) . . ?
C28 W C30 166.15(13) . . ?
C29 W P 88.89(8) . . ?
C29 W C27 178.38(12) . . ?
C29 W C30 90.40(12) . . ?
C30 W P 97.13(8) . . ?
O1 Ge O2 100.62(9) . . ?
O1 Ge C5 107.66(15) . . ?
O1 Ge C6 112.88(13) . . ?
O2 Ge C5 113.23(14) . . ?
O2 Ge C6 105.46(14) . . ?
C6 Ge C5 116.01(18) . . ?
O1 P W 113.93(8) . . ?
O1 P C2 103.45(12) . . ?
O1 P C7 101.05(11) . . ?
C2 P W 114.23(9) . . ?
C2 P C7 102.04(12) . . ?
C7 P W 119.96(9) . . ?
P O1 Ge 124.16(12) . . ?
C1 O2 Ge 128.42(18) . . ?
O2 C1 C2 116.8(2) . . ?
O2 C1 C3 107.9(2) . . ?
O2 C1 C4 104.6(2) . . ?
C3 C1 C2 108.6(3) . . ?
C4 C1 C2 110.0(2) . . ?
C4 C1 C3 108.7(3) . . ?
P C2 H2A 107.7 . . ?
P C2 H2B 107.7 . . ?
C1 C2 P 118.4(2) . . ?
C1 C2 H2A 107.7 . . ?
C1 C2 H2B 107.7 . . ?
H2A C2 H2B 107.1 . . ?
F1 C3 F2 106.4(3) . . ?
F1 C3 C1 112.9(3) . . ?
F2 C3 C1 110.0(3) . . ?
F3 C3 F1 107.9(3) . . ?
F3 C3 F2 106.4(3) . . ?
F3 C3 C1 112.9(3) . . ?
F4 C4 C1 111.1(3) . . ?
F5 C4 F4 107.2(3) . . ?
F5 C4 F6 107.6(3) . . ?
F5 C4 C1 113.1(3) . . ?
F6 C4 F4 107.0(3) . . ?
F6 C4 C1 110.6(3) . . ?
Ge C5 H5A 109.5 . . ?
Ge C5 H5B 109.5 . . ?
Ge C5 H5C 109.5 . . ?
H5A C5 H5B 109.5 . . ?
H5A C5 H5C 109.5 . . ?
H5B C5 H5C 109.5 . . ?
Ge C6 H6A 109.5 . . ?
Ge C6 H6B 109.5 . . ?
Ge C6 H6C 109.5 . . ?
H6A C6 H6B 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
C8 C7 P 111.48(19) . . ?
C14 C7 P 105.75(18) . . ?
C14 C7 C8 112.2(2) . . ?
C20 C7 P 107.91(18) . . ?
C20 C7 C8 108.4(2) . . ?
C20 C7 C14 111.0(2) . . ?
C9 C8 C7 122.3(3) . . ?
C9 C8 C13 116.7(3) . . ?
C13 C8 C7 120.9(3) . . ?
C8 C9 H9 119.0 . . ?
C10 C9 C8 121.9(3) . . ?
C10 C9 H9 119.0 . . ?
C9 C10 H10 119.8 . . ?
C11 C10 C9 120.5(3) . . ?
C11 C10 H10 119.8 . . ?
C10 C11 H11 120.4 . . ?
C10 C11 C12 119.2(3) . . ?
C12 C11 H11 120.4 . . ?
C11 C12 H12 119.8 . . ?
C11 C12 C13 120.5(3) . . ?
C13 C12 H12 119.8 . . ?
C8 C13 H13 119.4 . . ?
C12 C13 C8 121.3(3) . . ?
C12 C13 H13 119.4 . . ?
C15 C14 C7 122.7(2) . . ?
C19 C14 C7 119.7(2) . . ?
C19 C14 C15 117.6(3) . . ?
C14 C15 H15 119.6 . . ?
C16 C15 C14 120.8(3) . . ?
C16 C15 H15 119.6 . . ?
C15 C16 H16 119.7 . . ?
C17 C16 C15 120.5(3) . . ?
C17 C16 H16 119.7 . . ?
C16 C17 H17 120.2 . . ?
C16 C17 C18 119.6(3) . . ?
C18 C17 H17 120.2 . . ?
C17 C18 H18 120.1 . . ?
C17 C18 C19 119.9(3) . . ?
C19 C18 H18 120.1 . . ?
C14 C19 H19 119.2 . . ?
C18 C19 C14 121.6(3) . . ?
C18 C19 H19 119.2 . . ?
C21 C20 C7 122.5(2) . . ?
C21 C20 C25 118.2(3) . . ?
C25 C20 C7 119.1(2) . . ?
C20 C21 H21 119.6 . . ?
C20 C21 C22 120.7(3) . . ?
C22 C21 H21 119.6 . . ?
C21 C22 H22 119.9 . . ?
C23 C22 C21 120.2(3) . . ?
C23 C22 H22 119.9 . . ?
C22 C23 H23 120.1 . . ?
C22 C23 C24 119.7(3) . . ?
C24 C23 H23 120.1 . . ?
C23 C24 H24 119.9 . . ?
C25 C24 C23 120.1(3) . . ?
C25 C24 H24 119.9 . . ?
C20 C25 H25 119.5 . . ?
C24 C25 C20 121.0(3) . . ?
C24 C25 H25 119.5 . . ?
O3 C26 W 177.0(3) . . ?
O4 C27 W 179.1(3) . . ?
O5 C28 W 171.9(3) . . ?
O6 C29 W 178.9(3) . . ?
O7 C30 W 170.0(2) . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
W P O1 Ge 75.92(14) . . . . ?
W P C2 C1 -81.2(2) . . . . ?
Ge O2 C1 C2 -40.0(3) . . . . ?
Ge O2 C1 C3 82.6(3) . . . . ?
Ge O2 C1 C4 -161.8(2) . . . . ?
P C7 C8 C9 51.1(3) . . . . ?
P C7 C8 C13 -132.0(2) . . . . ?
P C7 C14 C15 -122.6(3) . . . . ?
P C7 C14 C19 57.8(3) . . . . ?
P C7 C20 C21 -132.8(2) . . . . ?
P C7 C20 C25 52.4(3) . . . . ?
O1 Ge O2 C1 34.0(3) . . . . ?
O1 P C2 C1 43.2(2) . . . . ?
O2 Ge O1 P 18.41(16) . . . . ?
O2 C1 C2 P -3.8(3) . . . . ?
O2 C1 C3 F1 178.3(2) . . . . ?
O2 C1 C3 F2 -63.1(3) . . . . ?
O2 C1 C3 F3 55.6(3) . . . . ?
O2 C1 C4 F4 -174.2(3) . . . . ?
O2 C1 C4 F5 -53.6(4) . . . . ?
O2 C1 C4 F6 67.2(3) . . . . ?
C2 P O1 Ge -48.67(17) . . . . ?
C2 C1 C3 F1 -54.2(3) . . . . ?
C2 C1 C3 F2 64.4(3) . . . . ?
C2 C1 C3 F3 -176.9(3) . . . . ?
C2 C1 C4 F4 59.7(3) . . . . ?
C2 C1 C4 F5 -179.7(3) . . . . ?
C2 C1 C4 F6 -59.0(3) . . . . ?
C3 C1 C2 P -126.0(2) . . . . ?
C3 C1 C4 F4 -59.1(4) . . . . ?
C3 C1 C4 F5 61.5(4) . . . . ?
C3 C1 C4 F6 -177.8(3) . . . . ?
C4 C1 C2 P 115.1(2) . . . . ?
C4 C1 C3 F1 65.4(4) . . . . ?
C4 C1 C3 F2 -176.0(3) . . . . ?
C4 C1 C3 F3 -57.3(4) . . . . ?
C5 Ge O1 P 137.15(18) . . . . ?
C5 Ge O2 C1 -80.6(3) . . . . ?
C6 Ge O1 P -93.51(19) . . . . ?
C6 Ge O2 C1 151.5(2) . . . . ?
C7 P O1 Ge -154.05(14) . . . . ?
C7 P C2 C1 147.8(2) . . . . ?
C7 C8 C9 C10 178.4(3) . . . . ?
C7 C8 C13 C12 -178.4(3) . . . . ?
C7 C14 C15 C16 179.8(3) . . . . ?
C7 C14 C19 C18 -178.8(3) . . . . ?
C7 C20 C21 C22 -176.5(2) . . . . ?
C7 C20 C25 C24 177.2(2) . . . . ?
C8 C7 C14 C15 -0.9(4) . . . . ?
C8 C7 C14 C19 179.5(3) . . . . ?
C8 C7 C20 C21 106.3(3) . . . . ?
C8 C7 C20 C25 -68.5(3) . . . . ?
C8 C9 C10 C11 -0.2(5) . . . . ?
C9 C8 C13 C12 -1.3(4) . . . . ?
C9 C10 C11 C12 -1.2(5) . . . . ?
C10 C11 C12 C13 1.3(5) . . . . ?
C11 C12 C13 C8 0.0(5) . . . . ?
C13 C8 C9 C10 1.4(4) . . . . ?
C14 C7 C8 C9 -67.3(3) . . . . ?
C14 C7 C8 C13 109.6(3) . . . . ?
C14 C7 C20 C21 -17.3(3) . . . . ?
C14 C7 C20 C25 167.8(2) . . . . ?
C14 C15 C16 C17 -0.5(5) . . . . ?
C15 C14 C19 C18 1.5(4) . . . . ?
C15 C16 C17 C18 0.7(5) . . . . ?
C16 C17 C18 C19 0.2(5) . . . . ?
C17 C18 C19 C14 -1.3(5) . . . . ?
C19 C14 C15 C16 -0.6(5) . . . . ?
C20 C7 C8 C9 169.7(3) . . . . ?
C20 C7 C8 C13 -13.3(3) . . . . ?
C20 C7 C14 C15 120.6(3) . . . . ?
C20 C7 C14 C19 -59.0(3) . . . . ?
C20 C21 C22 C23 0.1(4) . . . . ?
C21 C20 C25 C24 2.1(4) . . . . ?
C21 C22 C23 C24 0.9(4) . . . . ?
C22 C23 C24 C25 -0.4(4) . . . . ?
C23 C24 C25 C20 -1.1(4) . . . . ?
C25 C20 C21 C22 -1.6(4) . . . . ?

_shelx_SHELXL_version_number     2014/7

_olex2_submission_special_instructions 'No special instructions were received'
#END---------------------------------------------------------------------------

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_4012f
_database_code_depnum_ccdc_archive 'CCDC 1526597'
_audit_update_record             
;
2017-01-10 deposited with the CCDC.
2017-02-03 downloaded from the CCDC.
;
_audit_creation_date             2017-01-10
_audit_creation_method           
;
Olex2 1.2
(compiled 2017.01.04 svn.r3372 for OlexSys, GUI svn.r5289)
;
_shelx_SHELXL_version_number     2014/7
_chemical_name_common            ?
_chemical_name_systematic        AKY-488-2
_chemical_formula_moiety         '2(C36 H34 F6 Li O11 P W), C4 H10 O'
_chemical_formula_sum            'C76 H78 F12 Li2 O23 P2 W2'
_chemical_formula_weight         2030.90
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Li Li -0.0003 0.0001 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
W W -0.8490 6.8722 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   11.7408(5)
_cell_length_b                   18.5934(8)
_cell_length_c                   20.0735(8)
_cell_angle_alpha                86.722(3)
_cell_angle_beta                 74.872(2)
_cell_angle_gamma                73.209(3)
_cell_volume                     4049.1(3)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    9524
_cell_measurement_temperature    100
_cell_measurement_theta_max      29.31
_cell_measurement_theta_min      2.29
_shelx_estimated_absorpt_T_max   0.890
_shelx_estimated_absorpt_T_min   0.755
_exptl_absorpt_coefficient_mu    2.979
_exptl_absorpt_correction_T_max  0.5865
_exptl_absorpt_correction_T_min  0.4057
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   
;
SADABS-2014/5 (Bruker,2014/5) was used for absorption correction. 
wR2(int) was 0.1147 before and 0.0646 after correction. The Ratio 
of minimum to maximum transmission is 0.6917. The λ/2 correction 
factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear colourless'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.666
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       plate
_exptl_crystal_F_000             2020
_exptl_crystal_size_max          0.1
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.04
_exptl_special_details           
;
 ?
;
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0818
_diffrn_reflns_av_unetI/netI     0.0858
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            105146
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        26.000
_diffrn_reflns_theta_max         28.000
_diffrn_reflns_theta_min         2.468
_diffrn_ambient_temperature      100.0
_diffrn_detector_area_resol_mean 8
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                12783
_reflns_number_total             19509
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT v8.34A (Bruker, 2013)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT v8.34A (Bruker, 2013)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL (Sheldrick, 2008)'
_computing_structure_solution    'XS (Sheldrick, 2008)'
_refine_diff_density_max         4.023
_refine_diff_density_min         -1.908
_refine_diff_density_rms         0.185
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.009
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1058
_refine_ls_number_reflns         19509
_refine_ls_number_restraints     27
_refine_ls_R_factor_all          0.0959
_refine_ls_R_factor_gt           0.0470
_refine_ls_restrained_S_all      1.012
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0674P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1073
_refine_ls_wR_factor_ref         0.1261
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups, All O(H) groups
2. Restrained distances
 O12-C39
 1.49 with sigma of 0.01
3. Rigid bond restraints
 F5, C4
 with sigma for 1-2 distances of 0.005 and sigma for 1-3 distances of 0.005
 F1', C3'
 with sigma for 1-2 distances of 0.005 and sigma for 1-3 distances of 0.005
4. Uiso/Uaniso restraints and constraints
Uanis(C40) \\sim Ueq, Uanis(C39) \\sim Ueq: with sigma of 0.01 and sigma for
terminal atoms of 0.02
Uanis(C18) \\sim Ueq, Uanis(C3') \\sim Ueq: with sigma of 0.005 and sigma for
terminal atoms of 0.01
5.a Secondary CH2 refined with riding coordinates:
 C1(H1A,H1B), C1'(H1'A,H1'B), C29(H29A,H29B), C28(H28A,H28B), C31(H31A,H31B),
 C26(H26A,H26B), C30(H30A,H30B), C24(H24A,H24B), C25(H25A,H25B), C27(H27A,H27B),
  C38(H38A,H38B), C39(H39A,H39B), C24'(H24C,H24D), C30'(H30C,H30D), C29'(H29C,
 H29D), C25'(H25C,H25D), C31'(H31C,H31D), C26'(H26C,H26D), C27'(H27C,H27D),
 C28'(H28C,H28D)
5.b Aromatic/amide H refined with riding coordinates:
 C20(H20), C7(H7), C14(H14), C11(H11), C23(H23), C11'(H11'), C17(H17),
 C16'(H16'), C23'(H23'), C20'(H20'), C7'(H7'), C15(H15), C10(H10), C9'(H9'),
 C8'(H8'), C17'(H17'), C22(H22), C13(H13), C14'(H14'), C21(H21), C19(H19),
 C16(H16), C8(H8), C15'(H15'), C22'(H22'), C9(H9), C19'(H19'), C21'(H21'),
 C10'(H10'), C13'(H13')
5.c Idealised Me refined as rotating group:
 C37(H37A,H37B,H37C), C40(H40A,H40B,H40C)
5.d Idealised tetrahedral OH refined as rotating group:
 O1(H1), O1'(H1')
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
W W 0.46039(2) 0.27415(2) 0.28589(2) 0.01891(7) Uani 1 1 d . . . . .
W' W -0.11250(2) 0.36912(2) -0.28980(2) 0.01853(7) Uani 1 1 d . . . . .
P' P -0.14039(13) 0.29227(8) -0.17967(7) 0.0173(3) Uani 1 1 d . . . . .
P P 0.60311(12) 0.23299(7) 0.36763(7) 0.0148(3) Uani 1 1 d . . . . .
O10' O 0.0162(4) 0.2488(2) -0.41266(19) 0.0265(9) Uani 1 1 d . . . . .
F5 F 0.4288(3) 0.30644(17) 0.62818(15) 0.0282(8) Uani 1 1 d . U . . .
F2 F 0.2860(3) 0.22447(18) 0.56256(17) 0.0310(8) Uani 1 1 d . . . . .
F4 F 0.5033(3) 0.18897(17) 0.59986(15) 0.0265(7) Uani 1 1 d . . . . .
F2' F -0.1249(4) 0.3981(2) 0.05283(17) 0.0420(10) Uani 1 1 d . . . . .
O11 O 0.5715(4) 0.1493(2) 0.1659(2) 0.0323(10) Uani 1 1 d . . . . .
C35' C -0.0290(5) 0.2885(3) -0.3655(3) 0.0186(12) Uani 1 1 d . . . . .
F1 F 0.2711(3) 0.29043(19) 0.47215(16) 0.0319(8) Uani 1 1 d . . . . .
O1 O 0.4657(3) 0.34535(19) 0.48827(18) 0.0230(9) Uani 1 1 d . . . . .
H1 H 0.5287 0.3403 0.4553 0.035 Uiso 1 1 calc GR . . . .
C1 C 0.5225(5) 0.2083(3) 0.4567(2) 0.0156(11) Uani 1 1 d . . . . .
H1A H 0.4626 0.1822 0.4516 0.019 Uiso 1 1 calc R . . . .
H1B H 0.5845 0.1722 0.4766 0.019 Uiso 1 1 calc R . . . .
C36 C 0.5373(5) 0.1917(3) 0.2109(3) 0.0238(13) Uani 1 1 d . . . . .
C18 C 0.6925(5) 0.0759(3) 0.3695(3) 0.0179(12) Uani 1 1 d . U . . .
F3 F 0.2479(3) 0.34477(18) 0.56798(16) 0.0308(8) Uani 1 1 d . . . . .
O1' O -0.2311(3) 0.4072(2) -0.05680(19) 0.0253(9) Uani 1 1 d . . . . .
H1' H -0.2592 0.3859 -0.0819 0.038 Uiso 1 1 calc GR . . . .
O2' O -0.2740(3) 0.31674(19) -0.13491(17) 0.0188(8) Uani 1 1 d . . . . .
O8 O 0.2943(4) 0.1742(2) 0.3689(2) 0.0371(11) Uani 1 1 d . . . . .
F6 F 0.6124(3) 0.26533(19) 0.56388(16) 0.0284(8) Uani 1 1 d . . . . .
O2 O 0.6526(3) 0.29726(18) 0.38199(17) 0.0165(8) Uani 1 1 d . . . . .
O10 O 0.6299(4) 0.3676(2) 0.1929(2) 0.0337(10) Uani 1 1 d . . . . .
C1' C -0.0480(5) 0.3053(3) -0.1187(3) 0.0191(12) Uani 1 1 d . . . . .
H1'A H -0.0307 0.2588 -0.0918 0.023 Uiso 1 1 calc R . . . .
H1'B H 0.0322 0.3101 -0.1470 0.023 Uiso 1 1 calc R . . . .
F4' F -0.0926(3) 0.49506(18) -0.04462(16) 0.0320(8) Uani 1 1 d . . . . .
C2 C 0.4529(5) 0.2748(3) 0.5094(3) 0.0176(11) Uani 1 1 d . . . . .
O7' O -0.0627(4) 0.4853(2) -0.4060(2) 0.0378(11) Uani 1 1 d . . . . .
F6' F -0.0497(4) 0.4605(2) -0.14982(17) 0.0433(10) Uani 1 1 d . . . . .
C2' C -0.1059(5) 0.3728(3) -0.0670(3) 0.0210(12) Uani 1 1 d . . . . .
C32' C -0.0857(5) 0.4428(3) -0.3641(3) 0.0264(13) Uani 1 1 d . . . . .
C33 C 0.3531(5) 0.2107(3) 0.3408(3) 0.0244(13) Uani 1 1 d . . . . .
C5' C -0.0858(5) 0.1829(3) -0.1877(3) 0.0195(12) Uani 1 1 d . . . . .
O9' O -0.3672(4) 0.3617(2) -0.3147(2) 0.0354(10) Uani 1 1 d . . . . .
C4 C 0.4973(5) 0.2576(3) 0.5755(3) 0.0270(14) Uani 1 1 d . U . . .
O11' O 0.1459(4) 0.3696(2) -0.2687(2) 0.0327(10) Uani 1 1 d . . . . .
C6' C -0.1465(5) 0.1424(3) -0.1248(3) 0.0190(12) Uani 1 1 d . . . . .
C33' C -0.2195(6) 0.4570(3) -0.2255(3) 0.0285(14) Uani 1 1 d . . . . .
C18' C -0.1259(5) 0.1625(3) -0.2494(3) 0.0190(12) Uani 1 1 d . . . . .
C20 C 0.6823(5) -0.0298(3) 0.4451(3) 0.0293(14) Uani 1 1 d . . . . .
H20 H 0.7114 -0.0618 0.4794 0.035 Uiso 1 1 calc R . . . .
C3' C -0.0865(5) 0.3436(3) 0.0004(3) 0.0252(13) Uani 1 1 d . U . . .
O9 O 0.3328(4) 0.4245(3) 0.3753(2) 0.0431(12) Uani 1 1 d . . . . .
O7 O 0.2596(4) 0.3411(2) 0.2043(2) 0.0367(11) Uani 1 1 d . . . . .
C34 C 0.3786(5) 0.3678(3) 0.3471(3) 0.0228(13) Uani 1 1 d . . . . .
C7 C 0.8210(5) 0.2056(3) 0.2353(3) 0.0245(13) Uani 1 1 d . . . . .
H7 H 0.8080 0.2481 0.2633 0.029 Uiso 1 1 calc R . . . .
C14 C 0.9277(5) 0.1686(3) 0.4701(3) 0.0246(13) Uani 1 1 d . . . . .
H14 H 0.9130 0.1924 0.5134 0.029 Uiso 1 1 calc R . . . .
C32 C 0.3351(6) 0.3167(3) 0.2336(3) 0.0260(13) Uani 1 1 d . . . . .
C36' C 0.0527(5) 0.3697(3) -0.2754(3) 0.0223(12) Uani 1 1 d . . . . .
C3 C 0.3131(5) 0.2842(3) 0.5283(3) 0.0243(13) Uani 1 1 d . . . . .
F1' F -0.1545(5) 0.2959(2) 0.02671(18) 0.0601(13) Uani 1 1 d . U . . .
C6 C 0.7908(5) 0.1425(3) 0.2659(3) 0.0182(12) Uani 1 1 d . . . . .
F3' F 0.0292(4) 0.3075(2) 0.0027(2) 0.0690(15) Uani 1 1 d . . . . .
C11 C 0.8169(5) 0.0799(3) 0.2237(3) 0.0247(13) Uani 1 1 d . . . . .
H11 H 0.8000 0.0352 0.2435 0.030 Uiso 1 1 calc R . . . .
F5' F 0.0774(3) 0.4126(2) -0.0896(2) 0.0530(11) Uani 1 1 d . . . . .
C23 C 0.6011(5) 0.0617(3) 0.3455(3) 0.0233(13) Uani 1 1 d . . . . .
H23 H 0.5728 0.0921 0.3102 0.028 Uiso 1 1 calc R . . . .
C11' C -0.1356(5) 0.0668(3) -0.1337(3) 0.0266(13) Uani 1 1 d . . . . .
H11' H -0.0978 0.0440 -0.1782 0.032 Uiso 1 1 calc R . . . .
C12 C 0.8483(5) 0.1432(3) 0.3761(3) 0.0188(12) Uani 1 1 d . . . . .
C5 C 0.7423(5) 0.1430(3) 0.3444(3) 0.0173(11) Uani 1 1 d . . . . .
C17 C 0.9681(5) 0.1004(3) 0.3450(3) 0.0248(13) Uani 1 1 d . . . . .
H17 H 0.9840 0.0759 0.3019 0.030 Uiso 1 1 calc R . . . .
C16' C 0.2577(5) 0.1619(3) -0.2626(3) 0.0292(14) Uani 1 1 d . . . . .
H16' H 0.3087 0.1763 -0.3031 0.035 Uiso 1 1 calc R . . . .
C23' C -0.2503(5) 0.1864(3) -0.2479(3) 0.0243(13) Uani 1 1 d . . . . .
H23' H -0.3067 0.2169 -0.2101 0.029 Uiso 1 1 calc R . . . .
C20' C -0.0900(6) 0.0971(3) -0.3571(3) 0.0281(14) Uani 1 1 d . . . . .
H20' H -0.0344 0.0664 -0.3948 0.034 Uiso 1 1 calc R . . . .
C7' C -0.2027(5) 0.1734(3) -0.0595(3) 0.0254(13) Uani 1 1 d . . . . .
H7' H -0.2126 0.2250 -0.0518 0.031 Uiso 1 1 calc R . . . .
C34' C -0.2759(6) 0.3637(3) -0.3049(3) 0.0238(13) Uani 1 1 d . . . . .
C15 C 1.0440(5) 0.1258(3) 0.4379(3) 0.0310(15) Uani 1 1 d . . . . .
H15 H 1.1098 0.1194 0.4590 0.037 Uiso 1 1 calc R . . . .
C10 C 0.8671(5) 0.0816(3) 0.1532(3) 0.0301(14) Uani 1 1 d . . . . .
H10 H 0.8832 0.0385 0.1251 0.036 Uiso 1 1 calc R . . . .
C9' C -0.2312(6) 0.0561(4) -0.0147(3) 0.0391(17) Uani 1 1 d . . . . .
H9' H -0.2580 0.0267 0.0231 0.047 Uiso 1 1 calc R . . . .
C8' C -0.2451(5) 0.1305(4) -0.0049(3) 0.0338(16) Uani 1 1 d . . . . .
H8' H -0.2840 0.1531 0.0396 0.041 Uiso 1 1 calc R . . . .
C35 C 0.5711(5) 0.3338(3) 0.2277(3) 0.0242(13) Uani 1 1 d . . . . .
C17' C 0.1328(5) 0.1802(3) -0.2549(3) 0.0258(13) Uani 1 1 d . . . . .
H17' H 0.0988 0.2073 -0.2901 0.031 Uiso 1 1 calc R . . . .
C22 C 0.5494(5) 0.0049(3) 0.3711(3) 0.0279(14) Uani 1 1 d . . . . .
H22 H 0.4850 -0.0021 0.3540 0.034 Uiso 1 1 calc R . . . .
C13 C 0.8317(5) 0.1770(3) 0.4394(3) 0.0225(12) Uani 1 1 d . . . . .
H13 H 0.7518 0.2068 0.4624 0.027 Uiso 1 1 calc R . . . .
C14' C 0.2336(5) 0.1034(3) -0.1533(3) 0.0276(14) Uani 1 1 d . . . . .
H14' H 0.2682 0.0773 -0.1179 0.033 Uiso 1 1 calc R . . . .
C21 C 0.5896(6) -0.0418(3) 0.4210(3) 0.0318(15) Uani 1 1 d . . . . .
H21 H 0.5544 -0.0813 0.4383 0.038 Uiso 1 1 calc R . . . .
C19 C 0.7339(5) 0.0277(3) 0.4206(3) 0.0244(13) Uani 1 1 d . . . . .
H19 H 0.7976 0.0348 0.4382 0.029 Uiso 1 1 calc R . . . .
C16 C 1.0643(6) 0.0928(3) 0.3754(3) 0.0321(15) Uani 1 1 d . . . . .
H16 H 1.1450 0.0642 0.3523 0.039 Uiso 1 1 calc R . . . .
C8 C 0.8695(6) 0.2079(3) 0.1650(3) 0.0322(15) Uani 1 1 d . . . . .
H8 H 0.8864 0.2525 0.1449 0.039 Uiso 1 1 calc R . . . .
C15' C 0.3099(5) 0.1230(3) -0.2122(3) 0.0296(14) Uani 1 1 d . . . . .
H15' H 0.3963 0.1098 -0.2179 0.036 Uiso 1 1 calc R . . . .
C22' C -0.2941(6) 0.1671(3) -0.2999(3) 0.0307(14) Uani 1 1 d . . . . .
H22' H -0.3794 0.1848 -0.2977 0.037 Uiso 1 1 calc R . . . .
C9 C 0.8937(6) 0.1452(3) 0.1238(3) 0.0340(16) Uani 1 1 d . . . . .
H9 H 0.9283 0.1463 0.0755 0.041 Uiso 1 1 calc R . . . .
C19' C -0.0460(6) 0.1163(3) -0.3051(3) 0.0259(13) Uani 1 1 d . . . . .
H19' H 0.0392 0.0980 -0.3071 0.031 Uiso 1 1 calc R . . . .
C21' C -0.2147(6) 0.1223(3) -0.3548(3) 0.0299(14) Uani 1 1 d . . . . .
H21' H -0.2446 0.1088 -0.3905 0.036 Uiso 1 1 calc R . . . .
C10' C -0.1780(6) 0.0240(4) -0.0799(3) 0.0346(15) Uani 1 1 d . . . . .
H10' H -0.1708 -0.0273 -0.0876 0.041 Uiso 1 1 calc R . . . .
C4' C -0.0429(5) 0.4357(3) -0.0875(3) 0.0294(14) Uani 1 1 d . . . . .
O5 O 0.9307(3) 0.3433(2) 0.31052(19) 0.0260(9) Uani 1 1 d . . . . .
O4 O 0.8427(4) 0.3496(2) 0.4491(2) 0.0278(9) Uani 1 1 d . . . . .
O6 O 0.7242(3) 0.4470(2) 0.29553(18) 0.0231(9) Uani 1 1 d . . . . .
O3 O 0.6353(4) 0.4517(2) 0.43478(19) 0.0263(9) Uani 1 1 d . . . . .
C29 C 0.8390(5) 0.4402(3) 0.2450(3) 0.0238(13) Uani 1 1 d . . . . .
H29A H 0.8399 0.4897 0.2241 0.029 Uiso 1 1 calc R . . . .
H29B H 0.8485 0.4045 0.2078 0.029 Uiso 1 1 calc R . . . .
C28 C 0.9436(5) 0.4126(3) 0.2788(3) 0.0267(14) Uani 1 1 d . . . . .
H28A H 1.0237 0.4042 0.2441 0.032 Uiso 1 1 calc R . . . .
H28B H 0.9385 0.4495 0.3139 0.032 Uiso 1 1 calc R . . . .
C31 C 0.5776(5) 0.5106(3) 0.3934(3) 0.0280(14) Uani 1 1 d . . . . .
H31A H 0.5434 0.5585 0.4202 0.034 Uiso 1 1 calc R . . . .
H31B H 0.5090 0.4976 0.3817 0.034 Uiso 1 1 calc R . . . .
C26 C 0.9676(6) 0.3513(4) 0.4226(3) 0.0343(15) Uani 1 1 d . . . . .
H26A H 1.0181 0.3251 0.4540 0.041 Uiso 1 1 calc R . . . .
H26B H 0.9717 0.4038 0.4179 0.041 Uiso 1 1 calc R . . . .
C30 C 0.6693(6) 0.5199(3) 0.3285(3) 0.0285(14) Uani 1 1 d . . . . .
H30A H 0.6281 0.5559 0.2979 0.034 Uiso 1 1 calc R . . . .
H30B H 0.7330 0.5391 0.3393 0.034 Uiso 1 1 calc R . . . .
C24 C 0.7058(6) 0.4741(3) 0.4739(3) 0.0331(15) Uani 1 1 d . . . . .
H24A H 0.6513 0.5104 0.5110 0.040 Uiso 1 1 calc R . . . .
H24B H 0.7657 0.4978 0.4437 0.040 Uiso 1 1 calc R . . . .
C25 C 0.7718(6) 0.4027(3) 0.5040(3) 0.0366(16) Uani 1 1 d . . . . .
H25A H 0.8265 0.4137 0.5296 0.044 Uiso 1 1 calc R . . . .
H25B H 0.7111 0.3815 0.5366 0.044 Uiso 1 1 calc R . . . .
C27 C 1.0136(5) 0.3122(4) 0.3534(3) 0.0380(17) Uani 1 1 d . . . . .
H27A H 1.0961 0.3178 0.3305 0.046 Uiso 1 1 calc R . . . .
H27B H 1.0214 0.2580 0.3595 0.046 Uiso 1 1 calc R . . . .
C12' C 0.0538(5) 0.1596(3) -0.1958(3) 0.0177(12) Uani 1 1 d . . . . .
O8' O -0.2894(4) 0.5074(2) -0.1926(2) 0.0408(12) Uani 1 1 d . . . . .
C13' C 0.1072(5) 0.1215(3) -0.1452(3) 0.0214(12) Uani 1 1 d . . . . .
H13' H 0.0567 0.1075 -0.1043 0.026 Uiso 1 1 calc R . . . .
O12 O 0.2940(7) 0.1194(4) 0.1404(4) 0.092(2) Uani 1 1 d D . . . .
C38 C 0.1853(7) 0.1708(5) 0.1869(4) 0.060(2) Uani 1 1 d . . . . .
H38A H 0.2078 0.1878 0.2263 0.071 Uiso 1 1 calc R . . . .
H38B H 0.1200 0.1456 0.2050 0.071 Uiso 1 1 calc R . . . .
C37 C 0.1414(8) 0.2376(5) 0.1419(5) 0.079(3) Uani 1 1 d . . . . .
H37A H 0.1314 0.2189 0.0997 0.119 Uiso 1 1 calc GR . . . .
H37B H 0.2025 0.2658 0.1296 0.119 Uiso 1 1 calc GR . . . .
H37C H 0.0625 0.2706 0.1676 0.119 Uiso 1 1 calc GR . . . .
Li' Li -0.4394(8) 0.3248(5) -0.1022(5) 0.026(2) Uani 1 1 d . . . . .
Li Li 0.7510(9) 0.3609(5) 0.3718(5) 0.023(2) Uani 1 1 d . . . . .
C39 C 0.3328(11) 0.0586(6) 0.1822(6) 0.105(4) Uani 1 1 d D U . . .
H39A H 0.2698 0.0318 0.2003 0.126 Uiso 1 1 calc R . . . .
H39B H 0.3605 0.0734 0.2206 0.126 Uiso 1 1 calc R . . . .
C40 C 0.4517(10) 0.0095(6) 0.1182(7) 0.114(4) Uani 1 1 d . U . . .
H40A H 0.4291 0.0183 0.0741 0.172 Uiso 1 1 calc GR . . . .
H40B H 0.4696 -0.0442 0.1282 0.172 Uiso 1 1 calc GR . . . .
H40C H 0.5246 0.0262 0.1154 0.172 Uiso 1 1 calc GR . . . .
O3' O -0.5624(3) 0.3863(2) -0.16037(19) 0.0259(9) Uani 1 1 d . . . . .
O5' O -0.4769(4) 0.2831(2) -0.0011(2) 0.0299(10) Uani 1 1 d . . . . .
O6' O -0.5114(3) 0.4257(2) -0.04590(18) 0.0250(9) Uani 1 1 d . . . . .
O4' O -0.5275(4) 0.2428(2) -0.1151(2) 0.0312(10) Uani 1 1 d . . . . .
C24' C -0.6225(6) 0.3376(3) -0.1820(3) 0.0312(14) Uani 1 1 d . . . . .
H24C H -0.5703 0.3111 -0.2256 0.037 Uiso 1 1 calc R . . . .
H24D H -0.7019 0.3678 -0.1903 0.037 Uiso 1 1 calc R . . . .
C30' C -0.5749(5) 0.4823(3) -0.0849(3) 0.0287(14) Uani 1 1 d . . . . .
H30C H -0.5147 0.5023 -0.1193 0.034 Uiso 1 1 calc R . . . .
H30D H -0.6312 0.5243 -0.0537 0.034 Uiso 1 1 calc R . . . .
C29' C -0.5843(5) 0.4138(3) 0.0212(3) 0.0296(14) Uani 1 1 d . . . . .
H29C H -0.6636 0.4075 0.0180 0.036 Uiso 1 1 calc R . . . .
H29D H -0.6014 0.4570 0.0526 0.036 Uiso 1 1 calc R . . . .
C25' C -0.6445(5) 0.2815(3) -0.1270(3) 0.0316(15) Uani 1 1 d . . . . .
H25C H -0.7016 0.3073 -0.0841 0.038 Uiso 1 1 calc R . . . .
H25D H -0.6809 0.2456 -0.1424 0.038 Uiso 1 1 calc R . . . .
C31' C -0.6464(5) 0.4513(3) -0.1208(3) 0.0313(14) Uani 1 1 d . . . . .
H31C H -0.7137 0.4370 -0.0868 0.038 Uiso 1 1 calc R . . . .
H31D H -0.6830 0.4893 -0.1517 0.038 Uiso 1 1 calc R . . . .
C26' C -0.5338(6) 0.1957(4) -0.0569(4) 0.0400(17) Uani 1 1 d . . . . .
H26C H -0.4540 0.1567 -0.0619 0.048 Uiso 1 1 calc R . . . .
H26D H -0.5980 0.1701 -0.0543 0.048 Uiso 1 1 calc R . . . .
C27' C -0.5639(6) 0.2412(4) 0.0089(3) 0.0360(16) Uani 1 1 d . . . . .
H27C H -0.6485 0.2755 0.0181 0.043 Uiso 1 1 calc R . . . .
H27D H -0.5576 0.2075 0.0486 0.043 Uiso 1 1 calc R . . . .
C28' C -0.5092(6) 0.3439(3) 0.0469(3) 0.0327(15) Uani 1 1 d . . . . .
H28C H -0.4334 0.3525 0.0535 0.039 Uiso 1 1 calc R . . . .
H28D H -0.5567 0.3310 0.0921 0.039 Uiso 1 1 calc R . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
W P 2.5761(14) . ?
W C36 2.046(6) . ?
W C33 2.044(6) . ?
W C34 2.031(6) . ?
W C32 1.982(7) . ?
W C35 2.043(6) . ?
W' P' 2.5627(13) . ?
W' C35' 2.037(6) . ?
W' C32' 1.992(6) . ?
W' C33' 2.030(6) . ?
W' C36' 2.037(6) . ?
W' C34' 2.049(6) . ?
P' O2' 1.541(3) . ?
P' C1' 1.901(5) . ?
P' C5' 1.951(5) . ?
P C1 1.891(5) . ?
P O2 1.542(4) . ?
P C5 1.949(5) . ?
O10' C35' 1.146(6) . ?
F5 C4 1.353(6) . ?
F2 C3 1.346(6) . ?
F4 C4 1.330(6) . ?
F2' C3' 1.395(6) . ?
O11 C36 1.143(7) . ?
F1 C3 1.329(6) . ?
O1 H1 0.8400 . ?
O1 C2 1.393(6) . ?
C1 H1A 0.9900 . ?
C1 H1B 0.9900 . ?
C1 C2 1.559(7) . ?
C18 C23 1.378(8) . ?
C18 C5 1.532(7) . ?
C18 C19 1.414(7) . ?
F3 C3 1.332(6) . ?
O1' H1' 0.8400 . ?
O1' C2' 1.388(6) . ?
O2' Li' 1.845(10) . ?
O8 C33 1.132(6) . ?
F6 C4 1.358(6) . ?
O2 Li 1.848(10) . ?
O10 C35 1.145(6) . ?
C1' H1'A 0.9900 . ?
C1' H1'B 0.9900 . ?
C1' C2' 1.550(7) . ?
F4' C4' 1.332(6) . ?
C2 C4 1.534(8) . ?
C2 C3 1.545(8) . ?
O7' C32' 1.155(6) . ?
F6' C4' 1.322(7) . ?
C2' C3' 1.478(8) . ?
C2' C4' 1.540(8) . ?
C5' C6' 1.550(7) . ?
C5' C18' 1.537(7) . ?
C5' C12' 1.535(7) . ?
O9' C34' 1.151(7) . ?
O11' C36' 1.136(7) . ?
C6' C11' 1.392(8) . ?
C6' C7' 1.378(7) . ?
C33' O8' 1.154(6) . ?
C18' C23' 1.391(8) . ?
C18' C19' 1.401(7) . ?
C20 H20 0.9500 . ?
C20 C21 1.377(9) . ?
C20 C19 1.383(8) . ?
C3' F1' 1.356(7) . ?
C3' F3' 1.341(7) . ?
O9 C34 1.141(7) . ?
O7 C32 1.160(7) . ?
C7 H7 0.9500 . ?
C7 C6 1.387(7) . ?
C7 C8 1.380(7) . ?
C14 H14 0.9500 . ?
C14 C15 1.373(8) . ?
C14 C13 1.388(8) . ?
C6 C11 1.392(7) . ?
C6 C5 1.530(7) . ?
C11 H11 0.9500 . ?
C11 C10 1.387(8) . ?
F5' C4' 1.341(7) . ?
C23 H23 0.9500 . ?
C23 C22 1.375(8) . ?
C11' H11' 0.9500 . ?
C11' C10' 1.377(8) . ?
C12 C5 1.538(8) . ?
C12 C17 1.398(7) . ?
C12 C13 1.392(7) . ?
C17 H17 0.9500 . ?
C17 C16 1.387(8) . ?
C16' H16' 0.9500 . ?
C16' C17' 1.375(8) . ?
C16' C15' 1.381(8) . ?
C23' H23' 0.9500 . ?
C23' C22' 1.383(8) . ?
C20' H20' 0.9500 . ?
C20' C19' 1.384(8) . ?
C20' C21' 1.391(8) . ?
C7' H7' 0.9500 . ?
C7' C8' 1.390(8) . ?
C15 H15 0.9500 . ?
C15 C16 1.364(9) . ?
C10 H10 0.9500 . ?
C10 C9 1.372(8) . ?
C9' H9' 0.9500 . ?
C9' C8' 1.364(9) . ?
C9' C10' 1.381(9) . ?
C8' H8' 0.9500 . ?
C17' H17' 0.9500 . ?
C17' C12' 1.412(7) . ?
C22 H22 0.9500 . ?
C22 C21 1.375(8) . ?
C13 H13 0.9500 . ?
C14' H14' 0.9500 . ?
C14' C15' 1.385(8) . ?
C14' C13' 1.391(8) . ?
C21 H21 0.9500 . ?
C19 H19 0.9500 . ?
C16 H16 0.9500 . ?
C8 H8 0.9500 . ?
C8 C9 1.387(8) . ?
C15' H15' 0.9500 . ?
C22' H22' 0.9500 . ?
C22' C21' 1.378(8) . ?
C9 H9 0.9500 . ?
C19' H19' 0.9500 . ?
C21' H21' 0.9500 . ?
C10' H10' 0.9500 . ?
O5 C28 1.433(6) . ?
O5 C27 1.442(7) . ?
O5 Li 2.089(10) . ?
O4 C26 1.432(7) . ?
O4 C25 1.432(7) . ?
O4 Li 2.078(10) . ?
O6 C29 1.437(6) . ?
O6 C30 1.437(6) . ?
O6 Li 2.164(10) . ?
O3 C31 1.453(7) . ?
O3 C24 1.432(7) . ?
O3 Li 2.078(10) . ?
C29 H29A 0.9900 . ?
C29 H29B 0.9900 . ?
C29 C28 1.505(8) . ?
C28 H28A 0.9900 . ?
C28 H28B 0.9900 . ?
C31 H31A 0.9900 . ?
C31 H31B 0.9900 . ?
C31 C30 1.495(7) . ?
C26 H26A 0.9900 . ?
C26 H26B 0.9900 . ?
C26 C27 1.498(9) . ?
C30 H30A 0.9900 . ?
C30 H30B 0.9900 . ?
C24 H24A 0.9900 . ?
C24 H24B 0.9900 . ?
C24 C25 1.512(8) . ?
C25 H25A 0.9900 . ?
C25 H25B 0.9900 . ?
C27 H27A 0.9900 . ?
C27 H27B 0.9900 . ?
C12' C13' 1.387(7) . ?
C13' H13' 0.9500 . ?
O12 C38 1.480(10) . ?
O12 C39 1.409(8) . ?
C38 H38A 0.9900 . ?
C38 H38B 0.9900 . ?
C38 C37 1.540(11) . ?
C37 H37A 0.9800 . ?
C37 H37B 0.9800 . ?
C37 H37C 0.9800 . ?
Li' O3' 2.129(10) . ?
Li' O5' 2.113(10) . ?
Li' O6' 2.084(10) . ?
Li' O4' 2.133(10) . ?
C39 H39A 0.9900 . ?
C39 H39B 0.9900 . ?
C39 C40 1.701(15) . ?
C40 H40A 0.9800 . ?
C40 H40B 0.9800 . ?
C40 H40C 0.9800 . ?
O3' C24' 1.442(7) . ?
O3' C31' 1.441(7) . ?
O5' C27' 1.421(7) . ?
O5' C28' 1.428(7) . ?
O6' C30' 1.426(7) . ?
O6' C29' 1.439(6) . ?
O4' C25' 1.429(7) . ?
O4' C26' 1.419(7) . ?
C24' H24C 0.9900 . ?
C24' H24D 0.9900 . ?
C24' C25' 1.500(8) . ?
C30' H30C 0.9900 . ?
C30' H30D 0.9900 . ?
C30' C31' 1.485(8) . ?
C29' H29C 0.9900 . ?
C29' H29D 0.9900 . ?
C29' C28' 1.495(8) . ?
C25' H25C 0.9900 . ?
C25' H25D 0.9900 . ?
C31' H31C 0.9900 . ?
C31' H31D 0.9900 . ?
C26' H26C 0.9900 . ?
C26' H26D 0.9900 . ?
C26' C27' 1.516(9) . ?
C27' H27C 0.9900 . ?
C27' H27D 0.9900 . ?
C28' H28C 0.9900 . ?
C28' H28D 0.9900 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C36 W P 101.76(16) . . ?
C33 W P 88.98(16) . . ?
C33 W C36 89.7(2) . . ?
C34 W P 85.99(16) . . ?
C34 W C36 170.4(2) . . ?
C34 W C33 96.2(2) . . ?
C34 W C35 86.4(2) . . ?
C32 W P 171.67(16) . . ?
C32 W C36 86.5(2) . . ?
C32 W C33 89.7(2) . . ?
C32 W C34 86.0(2) . . ?
C32 W C35 90.2(2) . . ?
C35 W P 91.49(16) . . ?
C35 W C36 87.8(2) . . ?
C35 W C33 177.5(2) . . ?
C35' W' P' 102.98(15) . . ?
C35' W' C36' 91.5(2) . . ?
C35' W' C34' 86.6(2) . . ?
C32' W' P' 169.01(17) . . ?
C32' W' C35' 86.1(2) . . ?
C32' W' C33' 88.2(2) . . ?
C32' W' C36' 86.4(2) . . ?
C32' W' C34' 94.9(2) . . ?
C33' W' P' 83.80(16) . . ?
C33' W' C35' 168.9(2) . . ?
C33' W' C36' 97.6(2) . . ?
C33' W' C34' 84.4(2) . . ?
C36' W' P' 87.17(15) . . ?
C36' W' C34' 177.6(2) . . ?
C34' W' P' 91.79(15) . . ?
O2' P' W' 111.65(14) . . ?
O2' P' C1' 103.1(2) . . ?
O2' P' C5' 108.7(2) . . ?
C1' P' W' 114.07(17) . . ?
C1' P' C5' 98.9(2) . . ?
C5' P' W' 118.80(15) . . ?
C1 P W 113.46(17) . . ?
C1 P C5 100.2(2) . . ?
O2 P W 111.52(14) . . ?
O2 P C1 103.4(2) . . ?
O2 P C5 107.6(2) . . ?
C5 P W 119.13(17) . . ?
O10' C35' W' 173.2(4) . . ?
C2 O1 H1 109.5 . . ?
P C1 H1A 108.1 . . ?
P C1 H1B 108.1 . . ?
H1A C1 H1B 107.3 . . ?
C2 C1 P 116.7(3) . . ?
C2 C1 H1A 108.1 . . ?
C2 C1 H1B 108.1 . . ?
O11 C36 W 173.2(5) . . ?
C23 C18 C5 121.6(5) . . ?
C23 C18 C19 116.8(5) . . ?
C19 C18 C5 121.6(5) . . ?
C2' O1' H1' 109.5 . . ?
P' O2' Li' 160.7(4) . . ?
P O2 Li 160.5(4) . . ?
P' C1' H1'A 107.9 . . ?
P' C1' H1'B 107.9 . . ?
H1'A C1' H1'B 107.2 . . ?
C2' C1' P' 117.5(4) . . ?
C2' C1' H1'A 107.9 . . ?
C2' C1' H1'B 107.9 . . ?
O1 C2 C1 116.7(4) . . ?
O1 C2 C4 106.8(4) . . ?
O1 C2 C3 105.4(4) . . ?
C4 C2 C1 109.1(4) . . ?
C4 C2 C3 108.2(4) . . ?
C3 C2 C1 110.2(4) . . ?
O1' C2' C1' 116.9(5) . . ?
O1' C2' C3' 106.9(4) . . ?
O1' C2' C4' 106.0(4) . . ?
C3' C2' C1' 106.3(4) . . ?
C3' C2' C4' 108.5(5) . . ?
C4' C2' C1' 111.9(4) . . ?
O7' C32' W' 175.3(5) . . ?
O8 C33 W 177.2(5) . . ?
C6' C5' P' 114.4(3) . . ?
C18' C5' P' 106.2(3) . . ?
C18' C5' C6' 106.1(4) . . ?
C12' C5' P' 106.3(4) . . ?
C12' C5' C6' 108.9(4) . . ?
C12' C5' C18' 115.1(4) . . ?
F5 C4 F6 104.7(5) . . ?
F5 C4 C2 113.3(4) . . ?
F4 C4 F5 106.8(4) . . ?
F4 C4 F6 106.4(4) . . ?
F4 C4 C2 115.5(5) . . ?
F6 C4 C2 109.5(4) . . ?
C11' C6' C5' 117.2(5) . . ?
C7' C6' C5' 125.5(5) . . ?
C7' C6' C11' 117.2(5) . . ?
O8' C33' W' 172.9(6) . . ?
C23' C18' C5' 118.4(5) . . ?
C23' C18' C19' 117.5(5) . . ?
C19' C18' C5' 123.9(5) . . ?
C21 C20 H20 119.3 . . ?
C21 C20 C19 121.5(5) . . ?
C19 C20 H20 119.3 . . ?
F2' C3' C2' 114.6(4) . . ?
F1' C3' F2' 102.3(4) . . ?
F1' C3' C2' 111.8(5) . . ?
F3' C3' F2' 103.3(5) . . ?
F3' C3' C2' 117.2(5) . . ?
F3' C3' F1' 106.1(5) . . ?
O9 C34 W 172.8(5) . . ?
C6 C7 H7 119.3 . . ?
C8 C7 H7 119.3 . . ?
C8 C7 C6 121.5(5) . . ?
C15 C14 H14 120.0 . . ?
C15 C14 C13 120.0(6) . . ?
C13 C14 H14 120.0 . . ?
O7 C32 W 178.4(5) . . ?
O11' C36' W' 178.7(5) . . ?
F2 C3 C2 111.3(4) . . ?
F1 C3 F2 106.9(5) . . ?
F1 C3 F3 107.1(4) . . ?
F1 C3 C2 111.4(4) . . ?
F3 C3 F2 107.1(4) . . ?
F3 C3 C2 112.8(5) . . ?
C7 C6 C11 117.7(5) . . ?
C7 C6 C5 118.3(5) . . ?
C11 C6 C5 123.7(5) . . ?
C6 C11 H11 119.5 . . ?
C10 C11 C6 121.0(5) . . ?
C10 C11 H11 119.5 . . ?
C18 C23 H23 118.9 . . ?
C22 C23 C18 122.2(5) . . ?
C22 C23 H23 118.9 . . ?
C6' C11' H11' 119.0 . . ?
C10' C11' C6' 122.0(6) . . ?
C10' C11' H11' 119.0 . . ?
C17 C12 C5 119.7(5) . . ?
C13 C12 C5 124.0(5) . . ?
C13 C12 C17 115.9(5) . . ?
C18 C5 P 106.8(3) . . ?
C18 C5 C12 110.9(4) . . ?
C6 C5 P 105.7(3) . . ?
C6 C5 C18 112.2(4) . . ?
C6 C5 C12 107.8(4) . . ?
C12 C5 P 113.4(3) . . ?
C12 C17 H17 119.1 . . ?
C16 C17 C12 121.7(5) . . ?
C16 C17 H17 119.1 . . ?
C17' C16' H16' 119.6 . . ?
C17' C16' C15' 120.7(5) . . ?
C15' C16' H16' 119.6 . . ?
C18' C23' H23' 119.2 . . ?
C22' C23' C18' 121.6(5) . . ?
C22' C23' H23' 119.2 . . ?
C19' C20' H20' 119.6 . . ?
C19' C20' C21' 120.8(5) . . ?
C21' C20' H20' 119.6 . . ?
C6' C7' H7' 119.4 . . ?
C6' C7' C8' 121.2(6) . . ?
C8' C7' H7' 119.4 . . ?
O9' C34' W' 178.3(5) . . ?
C14 C15 H15 120.3 . . ?
C16 C15 C14 119.4(6) . . ?
C16 C15 H15 120.3 . . ?
C11 C10 H10 119.9 . . ?
C9 C10 C11 120.3(6) . . ?
C9 C10 H10 119.9 . . ?
C8' C9' H9' 120.2 . . ?
C8' C9' C10' 119.6(5) . . ?
C10' C9' H9' 120.2 . . ?
C7' C8' H8' 119.8 . . ?
C9' C8' C7' 120.4(6) . . ?
C9' C8' H8' 119.8 . . ?
O10 C35 W 176.8(5) . . ?
C16' C17' H17' 119.3 . . ?
C16' C17' C12' 121.5(5) . . ?
C12' C17' H17' 119.3 . . ?
C23 C22 H22 119.6 . . ?
C23 C22 C21 120.9(6) . . ?
C21 C22 H22 119.6 . . ?
C14 C13 C12 122.3(5) . . ?
C14 C13 H13 118.9 . . ?
C12 C13 H13 118.9 . . ?
C15' C14' H14' 119.5 . . ?
C15' C14' C13' 121.0(5) . . ?
C13' C14' H14' 119.5 . . ?
C20 C21 H21 120.9 . . ?
C22 C21 C20 118.2(5) . . ?
C22 C21 H21 120.9 . . ?
C18 C19 H19 119.8 . . ?
C20 C19 C18 120.4(6) . . ?
C20 C19 H19 119.8 . . ?
C17 C16 H16 119.7 . . ?
C15 C16 C17 120.6(6) . . ?
C15 C16 H16 119.7 . . ?
C7 C8 H8 120.1 . . ?
C7 C8 C9 119.9(6) . . ?
C9 C8 H8 120.1 . . ?
C16' C15' C14' 118.7(5) . . ?
C16' C15' H15' 120.7 . . ?
C14' C15' H15' 120.7 . . ?
C23' C22' H22' 119.8 . . ?
C21' C22' C23' 120.5(6) . . ?
C21' C22' H22' 119.8 . . ?
C10 C9 C8 119.6(5) . . ?
C10 C9 H9 120.2 . . ?
C8 C9 H9 120.2 . . ?
C18' C19' H19' 119.7 . . ?
C20' C19' C18' 120.7(6) . . ?
C20' C19' H19' 119.7 . . ?
C20' C21' H21' 120.6 . . ?
C22' C21' C20' 118.8(6) . . ?
C22' C21' H21' 120.6 . . ?
C11' C10' C9' 119.5(6) . . ?
C11' C10' H10' 120.2 . . ?
C9' C10' H10' 120.2 . . ?
F4' C4' C2' 113.0(5) . . ?
F4' C4' F5' 106.7(5) . . ?
F6' C4' F4' 106.8(5) . . ?
F6' C4' C2' 111.2(5) . . ?
F6' C4' F5' 106.1(5) . . ?
F5' C4' C2' 112.5(5) . . ?
C28 O5 C27 114.3(4) . . ?
C28 O5 Li 109.0(4) . . ?
C27 O5 Li 107.9(4) . . ?
C26 O4 Li 112.1(4) . . ?
C25 O4 C26 114.7(5) . . ?
C25 O4 Li 109.8(4) . . ?
C29 O6 C30 114.0(4) . . ?
C29 O6 Li 109.2(4) . . ?
C30 O6 Li 110.4(4) . . ?
C31 O3 Li 109.9(4) . . ?
C24 O3 C31 114.6(4) . . ?
C24 O3 Li 107.9(4) . . ?
O6 C29 H29A 109.7 . . ?
O6 C29 H29B 109.7 . . ?
O6 C29 C28 109.6(4) . . ?
H29A C29 H29B 108.2 . . ?
C28 C29 H29A 109.7 . . ?
C28 C29 H29B 109.7 . . ?
O5 C28 C29 105.6(4) . . ?
O5 C28 H28A 110.6 . . ?
O5 C28 H28B 110.6 . . ?
C29 C28 H28A 110.6 . . ?
C29 C28 H28B 110.6 . . ?
H28A C28 H28B 108.7 . . ?
O3 C31 H31A 109.6 . . ?
O3 C31 H31B 109.6 . . ?
O3 C31 C30 110.4(5) . . ?
H31A C31 H31B 108.1 . . ?
C30 C31 H31A 109.6 . . ?
C30 C31 H31B 109.6 . . ?
O4 C26 H26A 110.4 . . ?
O4 C26 H26B 110.4 . . ?
O4 C26 C27 106.8(5) . . ?
H26A C26 H26B 108.6 . . ?
C27 C26 H26A 110.4 . . ?
C27 C26 H26B 110.4 . . ?
O6 C30 C31 106.8(4) . . ?
O6 C30 H30A 110.4 . . ?
O6 C30 H30B 110.4 . . ?
C31 C30 H30A 110.4 . . ?
C31 C30 H30B 110.4 . . ?
H30A C30 H30B 108.6 . . ?
O3 C24 H24A 110.6 . . ?
O3 C24 H24B 110.6 . . ?
O3 C24 C25 105.6(5) . . ?
H24A C24 H24B 108.8 . . ?
C25 C24 H24A 110.6 . . ?
C25 C24 H24B 110.6 . . ?
O4 C25 C24 109.1(5) . . ?
O4 C25 H25A 109.9 . . ?
O4 C25 H25B 109.9 . . ?
C24 C25 H25A 109.9 . . ?
C24 C25 H25B 109.9 . . ?
H25A C25 H25B 108.3 . . ?
O5 C27 C26 110.7(5) . . ?
O5 C27 H27A 109.5 . . ?
O5 C27 H27B 109.5 . . ?
C26 C27 H27A 109.5 . . ?
C26 C27 H27B 109.5 . . ?
H27A C27 H27B 108.1 . . ?
C17' C12' C5' 120.2(5) . . ?
C13' C12' C5' 122.5(5) . . ?
C13' C12' C17' 117.2(5) . . ?
C14' C13' H13' 119.5 . . ?
C12' C13' C14' 121.0(5) . . ?
C12' C13' H13' 119.5 . . ?
C39 O12 C38 104.4(8) . . ?
O12 C38 H38A 110.7 . . ?
O12 C38 H38B 110.7 . . ?
O12 C38 C37 105.1(7) . . ?
H38A C38 H38B 108.8 . . ?
C37 C38 H38A 110.7 . . ?
C37 C38 H38B 110.7 . . ?
C38 C37 H37A 109.5 . . ?
C38 C37 H37B 109.5 . . ?
C38 C37 H37C 109.5 . . ?
H37A C37 H37B 109.5 . . ?
H37A C37 H37C 109.5 . . ?
H37B C37 H37C 109.5 . . ?
O2' Li' O3' 118.6(5) . . ?
O2' Li' O5' 110.6(5) . . ?
O2' Li' O6' 104.1(5) . . ?
O2' Li' O4' 126.0(5) . . ?
O3' Li' O4' 79.3(4) . . ?
O5' Li' O3' 130.0(5) . . ?
O5' Li' O4' 79.1(4) . . ?
O6' Li' O3' 80.0(4) . . ?
O6' Li' O5' 80.2(4) . . ?
O6' Li' O4' 129.7(5) . . ?
O2 Li O5 127.5(5) . . ?
O2 Li O4 112.8(5) . . ?
O2 Li O6 115.2(5) . . ?
O2 Li O3 101.9(4) . . ?
O5 Li O6 78.9(3) . . ?
O4 Li O5 80.8(4) . . ?
O4 Li O6 130.7(5) . . ?
O3 Li O5 130.6(5) . . ?
O3 Li O4 80.7(4) . . ?
O3 Li O6 79.5(3) . . ?
O12 C39 H39A 112.8 . . ?
O12 C39 H39B 112.8 . . ?
O12 C39 C40 94.9(8) . . ?
H39A C39 H39B 110.2 . . ?
C40 C39 H39A 112.8 . . ?
C40 C39 H39B 112.8 . . ?
C39 C40 H40A 109.5 . . ?
C39 C40 H40B 109.5 . . ?
C39 C40 H40C 109.5 . . ?
H40A C40 H40B 109.5 . . ?
H40A C40 H40C 109.5 . . ?
H40B C40 H40C 109.5 . . ?
C24' O3' Li' 109.9(4) . . ?
C31' O3' Li' 109.5(4) . . ?
C31' O3' C24' 113.8(4) . . ?
C27' O5' Li' 112.0(4) . . ?
C27' O5' C28' 114.9(5) . . ?
C28' O5' Li' 108.6(4) . . ?
C30' O6' Li' 109.6(4) . . ?
C30' O6' C29' 114.8(4) . . ?
C29' O6' Li' 109.5(4) . . ?
C25' O4' Li' 108.1(4) . . ?
C26' O4' Li' 109.4(4) . . ?
C26' O4' C25' 114.1(5) . . ?
O3' C24' H24C 109.8 . . ?
O3' C24' H24D 109.8 . . ?
O3' C24' C25' 109.5(5) . . ?
H24C C24' H24D 108.2 . . ?
C25' C24' H24C 109.8 . . ?
C25' C24' H24D 109.8 . . ?
O6' C30' H30C 109.5 . . ?
O6' C30' H30D 109.5 . . ?
O6' C30' C31' 110.6(5) . . ?
H30C C30' H30D 108.1 . . ?
C31' C30' H30C 109.5 . . ?
C31' C30' H30D 109.5 . . ?
O6' C29' H29C 110.6 . . ?
O6' C29' H29D 110.6 . . ?
O6' C29' C28' 105.7(4) . . ?
H29C C29' H29D 108.7 . . ?
C28' C29' H29C 110.6 . . ?
C28' C29' H29D 110.6 . . ?
O4' C25' C24' 106.8(5) . . ?
O4' C25' H25C 110.4 . . ?
O4' C25' H25D 110.4 . . ?
C24' C25' H25C 110.4 . . ?
C24' C25' H25D 110.4 . . ?
H25C C25' H25D 108.6 . . ?
O3' C31' C30' 107.3(5) . . ?
O3' C31' H31C 110.3 . . ?
O3' C31' H31D 110.3 . . ?
C30' C31' H31C 110.3 . . ?
C30' C31' H31D 110.3 . . ?
H31C C31' H31D 108.5 . . ?
O4' C26' H26C 109.5 . . ?
O4' C26' H26D 109.5 . . ?
O4' C26' C27' 110.6(5) . . ?
H26C C26' H26D 108.1 . . ?
C27' C26' H26C 109.5 . . ?
C27' C26' H26D 109.5 . . ?
O5' C27' C26' 106.8(5) . . ?
O5' C27' H27C 110.4 . . ?
O5' C27' H27D 110.4 . . ?
C26' C27' H27C 110.4 . . ?
C26' C27' H27D 110.4 . . ?
H27C C27' H27D 108.6 . . ?
O5' C28' C29' 110.4(5) . . ?
O5' C28' H28C 109.6 . . ?
O5' C28' H28D 109.6 . . ?
C29' C28' H28C 109.6 . . ?
C29' C28' H28D 109.6 . . ?
H28C C28' H28D 108.1 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
W P C1 C2 -84.2(4) . . . . ?
W P O2 Li -85.7(11) . . . . ?
W' P' O2' Li' 82.3(12) . . . . ?
P' O2' Li' O3' -72.5(13) . . . . ?
P' O2' Li' O5' 116.6(10) . . . . ?
P' O2' Li' O6' -158.7(9) . . . . ?
P' O2' Li' O4' 25.3(16) . . . . ?
P' C1' C2' O1' 15.8(6) . . . . ?
P' C1' C2' C3' 135.0(4) . . . . ?
P' C1' C2' C4' -106.7(5) . . . . ?
P' C5' C6' C11' 164.6(4) . . . . ?
P' C5' C6' C7' -20.3(7) . . . . ?
P' C5' C18' C23' -58.2(5) . . . . ?
P' C5' C18' C19' 126.8(5) . . . . ?
P' C5' C12' C17' -65.1(5) . . . . ?
P' C5' C12' C13' 111.5(5) . . . . ?
P C1 C2 O1 -5.6(6) . . . . ?
P C1 C2 C4 -126.8(4) . . . . ?
P C1 C2 C3 114.5(4) . . . . ?
P O2 Li O5 -18.3(16) . . . . ?
P O2 Li O4 -114.2(10) . . . . ?
P O2 Li O6 77.0(12) . . . . ?
P O2 Li O3 160.9(9) . . . . ?
O1 C2 C4 F5 62.7(5) . . . . ?
O1 C2 C4 F4 -173.7(4) . . . . ?
O1 C2 C4 F6 -53.7(5) . . . . ?
O1 C2 C3 F2 -167.5(4) . . . . ?
O1 C2 C3 F1 73.4(5) . . . . ?
O1 C2 C3 F3 -47.1(6) . . . . ?
C1 P O2 Li 152.1(11) . . . . ?
C1 C2 C4 F5 -170.3(4) . . . . ?
C1 C2 C4 F4 -46.7(6) . . . . ?
C1 C2 C4 F6 73.3(5) . . . . ?
C1 C2 C3 F2 65.7(5) . . . . ?
C1 C2 C3 F1 -53.4(6) . . . . ?
C1 C2 C3 F3 -173.9(4) . . . . ?
C18 C23 C22 C21 -1.7(9) . . . . ?
O1' C2' C3' F2' -58.9(6) . . . . ?
O1' C2' C3' F1' 56.9(6) . . . . ?
O1' C2' C3' F3' 179.7(5) . . . . ?
O1' C2' C4' F4' 50.2(6) . . . . ?
O1' C2' C4' F6' -69.9(5) . . . . ?
O1' C2' C4' F5' 171.2(4) . . . . ?
O2 P C1 C2 36.7(4) . . . . ?
C1' P' O2' Li' -154.8(11) . . . . ?
C1' C2' C3' F2' 175.5(5) . . . . ?
C1' C2' C3' F1' -68.6(6) . . . . ?
C1' C2' C3' F3' 54.2(7) . . . . ?
C1' C2' C4' F4' 178.8(4) . . . . ?
C1' C2' C4' F6' 58.6(6) . . . . ?
C1' C2' C4' F5' -60.3(6) . . . . ?
C5' P' O2' Li' -50.6(12) . . . . ?
C5' C6' C11' C10' 175.1(5) . . . . ?
C5' C6' C7' C8' -174.3(5) . . . . ?
C5' C18' C23' C22' -176.7(5) . . . . ?
C5' C18' C19' C20' 176.5(5) . . . . ?
C5' C12' C13' C14' -177.9(5) . . . . ?
C4 C2 C3 F2 -53.5(6) . . . . ?
C4 C2 C3 F1 -172.6(4) . . . . ?
C4 C2 C3 F3 66.9(6) . . . . ?
C6' C5' C18' C23' 64.0(6) . . . . ?
C6' C5' C18' C19' -111.0(5) . . . . ?
C6' C5' C12' C17' 171.1(5) . . . . ?
C6' C5' C12' C13' -12.2(7) . . . . ?
C6' C11' C10' C9' -1.1(9) . . . . ?
C6' C7' C8' C9' 0.4(9) . . . . ?
C18' C5' C6' C11' 47.9(6) . . . . ?
C18' C5' C6' C7' -137.0(5) . . . . ?
C18' C5' C12' C17' 52.1(7) . . . . ?
C18' C5' C12' C13' -131.2(5) . . . . ?
C18' C23' C22' C21' 0.8(9) . . . . ?
C3' C2' C4' F4' -64.3(6) . . . . ?
C3' C2' C4' F6' 175.6(4) . . . . ?
C3' C2' C4' F5' 56.7(6) . . . . ?
C7 C6 C11 C10 -2.4(8) . . . . ?
C7 C6 C5 P 54.2(6) . . . . ?
C7 C6 C5 C18 170.2(5) . . . . ?
C7 C6 C5 C12 -67.4(6) . . . . ?
C7 C8 C9 C10 1.0(10) . . . . ?
C14 C15 C16 C17 -1.6(9) . . . . ?
C3 C2 C4 F5 -50.3(6) . . . . ?
C3 C2 C4 F4 73.3(5) . . . . ?
C3 C2 C4 F6 -166.7(4) . . . . ?
C6 C7 C8 C9 -2.6(9) . . . . ?
C6 C11 C10 C9 0.9(9) . . . . ?
C11 C6 C5 P -131.9(5) . . . . ?
C11 C6 C5 C18 -15.9(7) . . . . ?
C11 C6 C5 C12 106.5(6) . . . . ?
C11 C10 C9 C8 -0.2(10) . . . . ?
C23 C18 C5 P 59.2(5) . . . . ?
C23 C18 C5 C6 -56.3(6) . . . . ?
C23 C18 C5 C12 -176.8(5) . . . . ?
C23 C18 C19 C20 -0.9(8) . . . . ?
C23 C22 C21 C20 0.6(9) . . . . ?
C11' C6' C7' C8' 0.8(8) . . . . ?
C12 C17 C16 C15 1.4(9) . . . . ?
C5 P C1 C2 147.7(4) . . . . ?
C5 P O2 Li 46.7(12) . . . . ?
C5 C18 C23 C22 -175.3(5) . . . . ?
C5 C18 C19 C20 176.2(5) . . . . ?
C5 C6 C11 C10 -176.3(5) . . . . ?
C5 C12 C17 C16 -173.4(5) . . . . ?
C5 C12 C13 C14 172.3(5) . . . . ?
C17 C12 C5 P -155.3(4) . . . . ?
C17 C12 C5 C18 84.6(6) . . . . ?
C17 C12 C5 C6 -38.6(6) . . . . ?
C17 C12 C13 C14 -0.3(8) . . . . ?
C16' C17' C12' C5' 178.1(5) . . . . ?
C16' C17' C12' C13' 1.3(8) . . . . ?
C23' C18' C19' C20' 1.5(8) . . . . ?
C23' C22' C21' C20' -0.2(9) . . . . ?
C7' C6' C11' C10' -0.4(9) . . . . ?
C15 C14 C13 C12 0.1(8) . . . . ?
C8' C9' C10' C11' 2.4(10) . . . . ?
C17' C16' C15' C14' -0.8(9) . . . . ?
C17' C12' C13' C14' -1.1(8) . . . . ?
C13 C14 C15 C16 0.9(8) . . . . ?
C13 C12 C5 P 32.4(6) . . . . ?
C13 C12 C5 C18 -87.7(6) . . . . ?
C13 C12 C5 C6 149.1(5) . . . . ?
C13 C12 C17 C16 -0.4(8) . . . . ?
C21 C20 C19 C18 -0.2(9) . . . . ?
C19 C18 C23 C22 1.8(8) . . . . ?
C19 C18 C5 P -117.8(5) . . . . ?
C19 C18 C5 C6 126.8(5) . . . . ?
C19 C18 C5 C12 6.2(7) . . . . ?
C19 C20 C21 C22 0.3(9) . . . . ?
C8 C7 C6 C11 3.2(9) . . . . ?
C8 C7 C6 C5 177.5(5) . . . . ?
C15' C16' C17' C12' -0.4(9) . . . . ?
C15' C14' C13' C12' 0.0(9) . . . . ?
C19' C18' C23' C22' -1.4(8) . . . . ?
C19' C20' C21' C22' 0.3(9) . . . . ?
C21' C20' C19' C18' -1.0(8) . . . . ?
C10' C9' C8' C7' -2.0(10) . . . . ?
C4' C2' C3' F2' 55.0(6) . . . . ?
C4' C2' C3' F1' 170.9(4) . . . . ?
C4' C2' C3' F3' -66.4(6) . . . . ?
O4 C26 C27 O5 51.9(6) . . . . ?
O6 C29 C28 O5 56.3(6) . . . . ?
O3 C31 C30 O6 53.6(6) . . . . ?
O3 C24 C25 O4 56.2(6) . . . . ?
C29 O6 C30 C31 -161.6(5) . . . . ?
C28 O5 C27 C26 79.5(6) . . . . ?
C31 O3 C24 C25 -171.9(4) . . . . ?
C26 O4 C25 C24 92.6(6) . . . . ?
C30 O6 C29 C28 91.1(6) . . . . ?
C24 O3 C31 C30 79.3(6) . . . . ?
C25 O4 C26 C27 -162.0(5) . . . . ?
C27 O5 C28 C29 -172.5(4) . . . . ?
C12' C5' C6' C11' -76.6(6) . . . . ?
C12' C5' C6' C7' 98.5(6) . . . . ?
C12' C5' C18' C23' -175.5(5) . . . . ?
C12' C5' C18' C19' 9.5(7) . . . . ?
C13' C14' C15' C16' 1.0(9) . . . . ?
C38 O12 C39 C40 178.9(7) . . . . ?
Li' O3' C24' C25' 35.0(6) . . . . ?
Li' O3' C31' C30' 39.6(6) . . . . ?
Li' O5' C27' C26' 39.3(6) . . . . ?
Li' O5' C28' C29' 37.6(6) . . . . ?
Li' O6' C30' C31' 40.6(6) . . . . ?
Li' O6' C29' C28' 45.7(6) . . . . ?
Li' O4' C25' C24' 48.7(6) . . . . ?
Li' O4' C26' C27' 39.6(6) . . . . ?
Li O5 C28 C29 -51.7(5) . . . . ?
Li O5 C27 C26 -41.9(6) . . . . ?
Li O4 C26 C27 -35.9(6) . . . . ?
Li O4 C25 C24 -34.7(6) . . . . ?
Li O6 C29 C28 -32.9(6) . . . . ?
Li O6 C30 C31 -38.2(6) . . . . ?
Li O3 C31 C30 -42.3(6) . . . . ?
Li O3 C24 C25 -49.1(5) . . . . ?
C39 O12 C38 C37 -179.9(8) . . . . ?
O3' C24' C25' O4' -56.4(6) . . . . ?
O6' C30' C31' O3' -53.9(6) . . . . ?
O6' C29' C28' O5' -55.9(6) . . . . ?
O4' C26' C27' O5' -52.7(7) . . . . ?
C24' O3' C31' C30' 163.0(5) . . . . ?
C30' O6' C29' C28' 169.5(5) . . . . ?
C29' O6' C30' C31' -83.2(6) . . . . ?
C25' O4' C26' C27' -81.6(6) . . . . ?
C31' O3' C24' C25' -88.2(6) . . . . ?
C26' O4' C25' C24' 170.6(5) . . . . ?
C27' O5' C28' C29' -88.7(6) . . . . ?
C28' O5' C27' C26' 163.9(5) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_4641f
_database_code_depnum_ccdc_archive 'CCDC 1526596'
_audit_update_record             
;
2017-01-10 deposited with the CCDC.
2017-02-03 downloaded from the CCDC.
;
_audit_creation_date             2016-06-01
_audit_creation_method           
;
Olex2 1.2
(compiled 2015.09.21 svn.r3230 for OlexSys, GUI svn.r5103)
;
_chemical_name_common            ?
_chemical_name_systematic        PB-13
_chemical_formula_moiety         'C28 H17 F6 O6 P W'
_chemical_formula_sum            'C28 H17 F6 O6 P W'
_chemical_formula_weight         778.23
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
W W -0.8490 6.8722 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/n 1'
_space_group_name_Hall           '-P 2yn'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'

_cell_length_a                   14.5390(8)
_cell_length_b                   11.5901(6)
_cell_length_c                   32.8290(18)
_cell_angle_alpha                90
_cell_angle_beta                 100.6203(19)
_cell_angle_gamma                90
_cell_volume                     5437.2(5)
_cell_formula_units_Z            8
_cell_measurement_reflns_used    9892
_cell_measurement_temperature    150
_cell_measurement_theta_max      29.59
_cell_measurement_theta_min      2.26
_shelx_estimated_absorpt_T_max   0.810
_shelx_estimated_absorpt_T_min   0.578
_exptl_absorpt_coefficient_mu    4.391
_exptl_absorpt_correction_T_max  0.7459
_exptl_absorpt_correction_T_min  0.4359
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   
;
SADABS-2014/5 (Bruker,2014/5) was used for absorption correction.
wR2(int) was 0.1598 before and 0.0810 after correction.
The Ratio of minimum to maximum transmission is 0.5844.
The λ/2 correction factor is 0.00150.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear colourless'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.901
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       plate
_exptl_crystal_F_000             3008
_exptl_crystal_size_max          0.14
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.05
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.1371
_diffrn_reflns_av_unetI/netI     0.0792
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 1.000
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       43
_diffrn_reflns_limit_l_min       -43
_diffrn_reflns_number            106615
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 1.000
_diffrn_reflns_theta_full        26.000
_diffrn_reflns_theta_max         27.998
_diffrn_reflns_theta_min         2.150
_diffrn_ambient_temperature      150.0
_diffrn_detector                 'Bruker Photon100 detector'
_diffrn_detector_area_resol_mean 7.9
_diffrn_detector_type            'CMOS area detector'
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device       'three-circle diffractometer'
_diffrn_measurement_device_type  'Bruker D8-Venture'
_diffrn_measurement_method       'fine slicing ω and φ scans'
_diffrn_radiation_monochromator  'mirror optics'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'microfocus sealed X-ray tube'
_diffrn_source_type              'Incoatec I\ms'
_diffrn_special_details          ?
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                9555
_reflns_number_total             13119
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT v8.34A (Bruker, 2013)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT v8.34A (Bruker, 2013)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL (Sheldrick, 2008)'
_computing_structure_solution    'XS (Sheldrick, 2008)'
_refine_diff_density_max         1.025
_refine_diff_density_min         -1.079
_refine_diff_density_rms         0.159
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.008
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     757
_refine_ls_number_reflns         13119
_refine_ls_number_restraints     1
_refine_ls_R_factor_all          0.0720
_refine_ls_R_factor_gt           0.0384
_refine_ls_restrained_S_all      1.009
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0168P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0603
_refine_ls_wR_factor_ref         0.0665
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
2. Rigid bond restraints
 P1', O1'
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.001
3.a Secondary CH2 refined with riding coordinates:
 C2(H2A,H2B), C2'(H2'A,H2'B)
3.b Aromatic/amide H refined with riding coordinates:
 C7(H7), C8(H8), C9(H9), C10(H10), C11(H11), C13(H13), C14(H14), C15(H15),
 C16(H16), C17(H17), C19(H19), C20(H20), C21(H21), C22(H22), C23(H23), C7'(H7'),
  C8'(H8'), C9'(H9'), C10'(H10'), C11'(H11'), C13'(H13'), C14'(H14'),
 C15'(H15'), C16'(H16'), C17'(H17'), C19'(H19'), C20'(H20'), C21'(H21'),
 C22'(H22'), C23'(H23')
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
W W 0.84220(2) 0.65809(2) 0.59849(2) 0.01796(5) Uani 1 1 d . . . . .
P P 0.86238(7) 0.47781(9) 0.64112(3) 0.0169(2) Uani 1 1 d . . . . .
F1 F 0.71938(18) 0.3301(2) 0.74513(8) 0.0392(7) Uani 1 1 d . . . . .
F2 F 0.84352(17) 0.2663(2) 0.72680(7) 0.0333(6) Uani 1 1 d . . . . .
F3 F 0.70898(19) 0.2295(2) 0.68964(8) 0.0426(7) Uani 1 1 d . . . . .
F4 F 0.66252(17) 0.5729(2) 0.65847(8) 0.0361(7) Uani 1 1 d . . . . .
F5 F 0.68600(17) 0.5514(2) 0.72456(8) 0.0376(7) Uani 1 1 d . . . . .
F6 F 0.59996(16) 0.4307(2) 0.68446(8) 0.0366(7) Uani 1 1 d . . . . .
O1 O 0.76696(18) 0.3947(2) 0.64405(8) 0.0208(6) Uani 1 1 d . . . . .
O2 O 0.8141(2) 0.8833(3) 0.54403(11) 0.0458(9) Uani 1 1 d . . . . .
O3 O 0.7498(2) 0.7991(3) 0.66319(10) 0.0454(9) Uani 1 1 d . . . . .
O4 O 1.0296(2) 0.7718(3) 0.64649(10) 0.0434(9) Uani 1 1 d . . . . .
O5 O 0.9400(2) 0.5670(3) 0.52525(9) 0.0321(8) Uani 1 1 d . . . . .
O6 O 0.6438(2) 0.5625(3) 0.55253(10) 0.0352(8) Uani 1 1 d . . . . .
C1 C 0.7645(3) 0.4210(4) 0.68648(12) 0.0192(9) Uani 1 1 d . . . . .
C2 C 0.8579(3) 0.4870(4) 0.69675(12) 0.0200(9) Uani 1 1 d . . . . .
H2A H 0.9085 0.4442 0.7149 0.024 Uiso 1 1 calc R . . . .
H2B H 0.8520 0.5666 0.7069 0.024 Uiso 1 1 calc R . . . .
C3 C 0.7599(3) 0.3103(4) 0.71222(13) 0.0261(10) Uani 1 1 d . . . . .
C4 C 0.6773(3) 0.4950(4) 0.68891(13) 0.0251(10) Uani 1 1 d . . . . .
C5 C 0.9573(3) 0.3716(3) 0.63198(12) 0.0182(9) Uani 1 1 d . . . . .
C6 C 1.0448(3) 0.4494(3) 0.64149(12) 0.0177(9) Uani 1 1 d . . . . .
C7 C 1.0764(3) 0.4922(4) 0.68183(13) 0.0231(10) Uani 1 1 d . . . . .
H7 H 1.0434 0.4720 0.7032 0.028 Uiso 1 1 calc R . . . .
C8 C 1.1537(3) 0.5625(4) 0.69108(14) 0.0302(11) Uani 1 1 d . . . . .
H8 H 1.1744 0.5878 0.7188 0.036 Uiso 1 1 calc R . . . .
C9 C 1.2018(3) 0.5968(4) 0.66039(15) 0.0352(12) Uani 1 1 d . . . . .
H9 H 1.2549 0.6458 0.6667 0.042 Uiso 1 1 calc R . . . .
C10 C 1.1708(3) 0.5583(4) 0.62037(15) 0.0322(11) Uani 1 1 d . . . . .
H10 H 1.2033 0.5810 0.5991 0.039 Uiso 1 1 calc R . . . .
C11 C 1.0934(3) 0.4876(4) 0.61064(13) 0.0224(10) Uani 1 1 d . . . . .
H11 H 1.0726 0.4644 0.5827 0.027 Uiso 1 1 calc R . . . .
C12 C 0.9630(3) 0.2608(3) 0.65855(12) 0.0186(9) Uani 1 1 d . . . . .
C13 C 1.0378(3) 0.2333(4) 0.68999(12) 0.0234(10) Uani 1 1 d . . . . .
H13 H 1.0881 0.2863 0.6969 0.028 Uiso 1 1 calc R . . . .
C14 C 1.0402(3) 0.1299(4) 0.71152(14) 0.0334(12) Uani 1 1 d . . . . .
H14 H 1.0918 0.1132 0.7330 0.040 Uiso 1 1 calc R . . . .
C15 C 0.9684(4) 0.0510(4) 0.70194(14) 0.0381(13) Uani 1 1 d . . . . .
H15 H 0.9697 -0.0189 0.7171 0.046 Uiso 1 1 calc R . . . .
C16 C 0.8950(3) 0.0746(4) 0.67028(14) 0.0335(12) Uani 1 1 d . . . . .
H16 H 0.8457 0.0204 0.6631 0.040 Uiso 1 1 calc R . . . .
C17 C 0.8931(3) 0.1788(4) 0.64871(13) 0.0259(10) Uani 1 1 d . . . . .
H17 H 0.8424 0.1938 0.6266 0.031 Uiso 1 1 calc R . . . .
C18 C 0.9338(3) 0.3316(3) 0.58633(12) 0.0152(8) Uani 1 1 d . . . . .
C19 C 1.0023(3) 0.2747(3) 0.56911(13) 0.0216(10) Uani 1 1 d . . . . .
H19 H 1.0621 0.2609 0.5857 0.026 Uiso 1 1 calc R . . . .
C20 C 0.9847(3) 0.2382(4) 0.52858(12) 0.0238(10) Uani 1 1 d . . . . .
H20 H 1.0328 0.2016 0.5173 0.029 Uiso 1 1 calc R . . . .
C21 C 0.8978(3) 0.2544(4) 0.50413(13) 0.0251(10) Uani 1 1 d . . . . .
H21 H 0.8866 0.2325 0.4758 0.030 Uiso 1 1 calc R . . . .
C22 C 0.8273(3) 0.3029(4) 0.52158(12) 0.0224(10) Uani 1 1 d . . . . .
H22 H 0.7661 0.3102 0.5056 0.027 Uiso 1 1 calc R . . . .
C23 C 0.8456(3) 0.3410(3) 0.56219(12) 0.0194(9) Uani 1 1 d . . . . .
H23 H 0.7964 0.3743 0.5737 0.023 Uiso 1 1 calc R . . . .
C24 C 0.8238(3) 0.8020(4) 0.56390(13) 0.0269(10) Uani 1 1 d . . . . .
C25 C 0.7812(3) 0.7443(4) 0.64048(13) 0.0274(11) Uani 1 1 d . . . . .
C26 C 0.9640(3) 0.7258(4) 0.62921(14) 0.0273(10) Uani 1 1 d . . . . .
C27 C 0.9060(3) 0.5940(4) 0.55260(13) 0.0232(10) Uani 1 1 d . . . . .
C28 C 0.7146(3) 0.5965(4) 0.56893(13) 0.0247(10) Uani 1 1 d . . . . .
W1' W 0.44866(2) -0.10994(2) 0.64640(2) 0.01856(5) Uani 1 1 d . . . . .
P1' P 0.44040(7) 0.07945(9) 0.61001(3) 0.0187(2) Uani 1 1 d . U . . .
F1' F 0.5871(2) 0.2125(3) 0.50771(9) 0.0571(9) Uani 1 1 d . . . . .
F2' F 0.61357(19) 0.3174(2) 0.56283(10) 0.0556(9) Uani 1 1 d . . . . .
F3' F 0.47389(17) 0.2937(2) 0.52942(7) 0.0352(7) Uani 1 1 d . . . . .
F4' F 0.64908(16) -0.0151(2) 0.60012(8) 0.0334(6) Uani 1 1 d . . . . .
F5' F 0.71067(17) 0.1176(2) 0.56924(9) 0.0475(8) Uani 1 1 d . . . . .
F6' F 0.62191(18) -0.0086(3) 0.53370(8) 0.0454(8) Uani 1 1 d . . . . .
O1' O 0.5396(2) 0.1596(3) 0.61057(9) 0.0288(7) Uani 1 1 d . U . . .
O2' O 0.4698(2) -0.3548(3) 0.68953(10) 0.0423(9) Uani 1 1 d . . . . .
O3' O 0.5526(2) -0.2321(3) 0.58097(11) 0.0447(9) Uani 1 1 d . . . . .
O4' O 0.6364(2) -0.0189(3) 0.70301(10) 0.0367(8) Uani 1 1 d . . . . .
O5' O 0.3292(2) -0.0431(3) 0.71483(10) 0.0412(9) Uani 1 1 d . . . . .
O6' O 0.2674(2) -0.2036(3) 0.58644(11) 0.0450(9) Uani 1 1 d . . . . .
C1' C 0.5468(3) 0.1334(4) 0.56827(12) 0.0206(10) Uani 1 1 d . . . . .
C2' C 0.4543(3) 0.0737(4) 0.55669(12) 0.0180(9) Uani 1 1 d . . . . .
H2'A H 0.4589 -0.0057 0.5461 0.022 Uiso 1 1 calc R . . . .
H2'B H 0.4069 0.1191 0.5377 0.022 Uiso 1 1 calc R . . . .
C3' C 0.5550(3) 0.2419(4) 0.54212(15) 0.0331(12) Uani 1 1 d . . . . .
C4' C 0.6332(3) 0.0559(4) 0.56765(14) 0.0280(11) Uani 1 1 d . . . . .
C5' C 0.3469(3) 0.1891(3) 0.61784(12) 0.0159(9) Uani 1 1 d . . . . .
C6' C 0.3635(3) 0.2226(3) 0.66372(12) 0.0171(9) Uani 1 1 d . . . . .
C7' C 0.4469(3) 0.2035(4) 0.69141(12) 0.0213(9) Uani 1 1 d . . . . .
H7' H 0.4962 0.1631 0.6823 0.026 Uiso 1 1 calc R . . . .
C8' C 0.4595(3) 0.2423(4) 0.73197(12) 0.0250(10) Uani 1 1 d . . . . .
H8' H 0.5170 0.2280 0.7503 0.030 Uiso 1 1 calc R . . . .
C9' C 0.3894(3) 0.3015(4) 0.74591(13) 0.0276(11) Uani 1 1 d . . . . .
H9' H 0.3973 0.3254 0.7740 0.033 Uiso 1 1 calc R . . . .
C10' C 0.3076(3) 0.3256(4) 0.71881(13) 0.0249(10) Uani 1 1 d . . . . .
H10' H 0.2596 0.3684 0.7280 0.030 Uiso 1 1 calc R . . . .
C11' C 0.2949(3) 0.2878(4) 0.67818(12) 0.0207(9) Uani 1 1 d . . . . .
H11' H 0.2386 0.3063 0.6597 0.025 Uiso 1 1 calc R . . . .
C12' C 0.3498(3) 0.3027(3) 0.59366(11) 0.0160(9) Uani 1 1 d . . . . .
C13' C 0.4225(3) 0.3805(4) 0.60790(13) 0.0258(10) Uani 1 1 d . . . . .
H13' H 0.4688 0.3602 0.6312 0.031 Uiso 1 1 calc R . . . .
C14' C 0.4285(3) 0.4862(4) 0.58885(13) 0.0281(11) Uani 1 1 d . . . . .
H14' H 0.4791 0.5366 0.5989 0.034 Uiso 1 1 calc R . . . .
C15' C 0.3618(3) 0.5186(4) 0.55557(13) 0.0280(11) Uani 1 1 d . . . . .
H15' H 0.3666 0.5904 0.5422 0.034 Uiso 1 1 calc R . . . .
C16' C 0.2879(3) 0.4454(4) 0.54192(13) 0.0260(10) Uani 1 1 d . . . . .
H16' H 0.2403 0.4681 0.5195 0.031 Uiso 1 1 calc R . . . .
C17' C 0.2820(3) 0.3382(4) 0.56070(12) 0.0199(9) Uani 1 1 d . . . . .
H17' H 0.2306 0.2888 0.5507 0.024 Uiso 1 1 calc R . . . .
C18' C 0.2568(3) 0.1168(3) 0.60364(12) 0.0163(9) Uani 1 1 d . . . . .
C19' C 0.2004(3) 0.0798(3) 0.63104(12) 0.0201(9) Uani 1 1 d . . . . .
H19' H 0.2173 0.0990 0.6596 0.024 Uiso 1 1 calc R . . . .
C20' C 0.1201(3) 0.0155(4) 0.61758(13) 0.0255(10) Uani 1 1 d . . . . .
H20' H 0.0817 -0.0063 0.6368 0.031 Uiso 1 1 calc R . . . .
C21' C 0.0953(3) -0.0169(4) 0.57674(14) 0.0276(10) Uani 1 1 d . . . . .
H21' H 0.0406 -0.0615 0.5676 0.033 Uiso 1 1 calc R . . . .
C22' C 0.1520(3) 0.0169(4) 0.54899(13) 0.0262(10) Uani 1 1 d . . . . .
H22' H 0.1357 -0.0051 0.5207 0.031 Uiso 1 1 calc R . . . .
C23' C 0.2315(3) 0.0817(3) 0.56193(12) 0.0203(9) Uani 1 1 d . . . . .
H23' H 0.2697 0.1030 0.5426 0.024 Uiso 1 1 calc R . . . .
C24' C 0.4623(3) -0.2655(4) 0.67422(13) 0.0272(11) Uani 1 1 d . . . . .
C25' C 0.5181(3) -0.1831(4) 0.60437(14) 0.0301(11) Uani 1 1 d . . . . .
C26' C 0.5703(3) -0.0536(4) 0.68270(13) 0.0231(10) Uani 1 1 d . . . . .
C27' C 0.3721(3) -0.0611(4) 0.68961(14) 0.0278(10) Uani 1 1 d . . . . .
C28' C 0.3300(3) -0.1658(4) 0.60811(13) 0.0260(10) Uani 1 1 d . . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
W P 2.5017(11) . ?
W C24 2.007(5) . ?
W C25 2.034(4) . ?
W C26 2.028(5) . ?
W C27 2.049(4) . ?
W C28 2.056(5) . ?
P O1 1.706(3) . ?
P C2 1.843(4) . ?
P C5 1.914(4) . ?
F1 C3 1.342(5) . ?
F2 C3 1.324(5) . ?
F3 C3 1.331(5) . ?
F4 C4 1.335(5) . ?
F5 C4 1.326(5) . ?
F6 C4 1.334(5) . ?
O1 C1 1.433(4) . ?
O2 C24 1.140(5) . ?
O3 C25 1.138(5) . ?
O4 C26 1.147(5) . ?
O5 C27 1.145(5) . ?
O6 C28 1.140(5) . ?
C1 C2 1.541(5) . ?
C1 C3 1.545(6) . ?
C1 C4 1.545(6) . ?
C2 H2A 0.9900 . ?
C2 H2B 0.9900 . ?
C5 C6 1.543(6) . ?
C5 C12 1.546(5) . ?
C5 C18 1.546(5) . ?
C6 C7 1.410(5) . ?
C6 C11 1.409(5) . ?
C7 H7 0.9500 . ?
C7 C8 1.377(6) . ?
C8 H8 0.9500 . ?
C8 C9 1.386(6) . ?
C9 H9 0.9500 . ?
C9 C10 1.382(6) . ?
C10 H10 0.9500 . ?
C10 C11 1.380(6) . ?
C11 H11 0.9500 . ?
C12 C13 1.391(5) . ?
C12 C17 1.386(6) . ?
C13 H13 0.9500 . ?
C13 C14 1.389(6) . ?
C14 H14 0.9500 . ?
C14 C15 1.380(7) . ?
C15 H15 0.9500 . ?
C15 C16 1.373(6) . ?
C16 H16 0.9500 . ?
C16 C17 1.398(6) . ?
C17 H17 0.9500 . ?
C18 C19 1.398(5) . ?
C18 C23 1.383(5) . ?
C19 H19 0.9500 . ?
C19 C20 1.374(5) . ?
C20 H20 0.9500 . ?
C20 C21 1.378(6) . ?
C21 H21 0.9500 . ?
C21 C22 1.383(5) . ?
C22 H22 0.9500 . ?
C22 C23 1.383(5) . ?
C23 H23 0.9500 . ?
W1' P1' 2.4915(11) . ?
W1' C24' 2.015(5) . ?
W1' C25' 2.039(5) . ?
W1' C26' 2.048(5) . ?
W1' C27' 2.038(5) . ?
W1' C28' 2.043(5) . ?
P1' O1' 1.713(3) . ?
P1' C2' 1.800(4) . ?
P1' C5' 1.913(4) . ?
F1' C3' 1.343(5) . ?
F2' C3' 1.319(6) . ?
F3' C3' 1.320(5) . ?
F4' C4' 1.332(5) . ?
F5' C4' 1.327(5) . ?
F6' C4' 1.327(5) . ?
O1' C1' 1.444(5) . ?
O2' C24' 1.147(5) . ?
O3' C25' 1.143(5) . ?
O4' C26' 1.138(5) . ?
O5' C27' 1.143(5) . ?
O6' C28' 1.135(5) . ?
C1' C2' 1.499(5) . ?
C1' C3' 1.540(6) . ?
C1' C4' 1.547(6) . ?
C2' H2'A 0.9900 . ?
C2' H2'B 0.9900 . ?
C5' C6' 1.531(5) . ?
C5' C12' 1.542(5) . ?
C5' C18' 1.552(5) . ?
C6' C7' 1.393(5) . ?
C6' C11' 1.401(5) . ?
C7' H7' 0.9500 . ?
C7' C8' 1.385(5) . ?
C8' H8' 0.9500 . ?
C8' C9' 1.376(6) . ?
C9' H9' 0.9500 . ?
C9' C10' 1.376(6) . ?
C10' H10' 0.9500 . ?
C10' C11' 1.384(5) . ?
C11' H11' 0.9500 . ?
C12' C13' 1.402(6) . ?
C12' C17' 1.386(5) . ?
C13' H13' 0.9500 . ?
C13' C14' 1.385(6) . ?
C14' H14' 0.9500 . ?
C14' C15' 1.372(6) . ?
C15' H15' 0.9500 . ?
C15' C16' 1.379(6) . ?
C16' H16' 0.9500 . ?
C16' C17' 1.397(6) . ?
C17' H17' 0.9500 . ?
C18' C19' 1.392(5) . ?
C18' C23' 1.411(5) . ?
C19' H19' 0.9500 . ?
C19' C20' 1.387(5) . ?
C20' H20' 0.9500 . ?
C20' C21' 1.375(6) . ?
C21' H21' 0.9500 . ?
C21' C22' 1.393(6) . ?
C22' H22' 0.9500 . ?
C22' C23' 1.378(6) . ?
C23' H23' 0.9500 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C24 W P 179.05(13) . . ?
C24 W C25 86.92(17) . . ?
C24 W C26 88.44(18) . . ?
C24 W C27 85.20(16) . . ?
C24 W C28 90.39(17) . . ?
C25 W P 92.98(12) . . ?
C25 W C27 171.80(16) . . ?
C25 W C28 91.26(17) . . ?
C26 W P 92.50(12) . . ?
C26 W C25 85.60(18) . . ?
C26 W C27 91.93(17) . . ?
C26 W C28 176.70(17) . . ?
C27 W P 94.94(12) . . ?
C27 W C28 91.05(16) . . ?
C28 W P 88.67(12) . . ?
O1 P W 119.37(10) . . ?
O1 P C2 78.41(15) . . ?
O1 P C5 105.26(16) . . ?
C2 P W 118.95(14) . . ?
C2 P C5 110.55(18) . . ?
C5 P W 117.59(12) . . ?
C1 O1 P 95.8(2) . . ?
O1 C1 C2 98.0(3) . . ?
O1 C1 C3 111.5(3) . . ?
O1 C1 C4 109.6(3) . . ?
C2 C1 C3 114.7(3) . . ?
C2 C1 C4 114.3(3) . . ?
C3 C1 C4 108.3(3) . . ?
P C2 H2A 114.2 . . ?
P C2 H2B 114.2 . . ?
C1 C2 P 86.8(2) . . ?
C1 C2 H2A 114.2 . . ?
C1 C2 H2B 114.2 . . ?
H2A C2 H2B 111.3 . . ?
F1 C3 C1 111.6(4) . . ?
F2 C3 F1 106.6(3) . . ?
F2 C3 F3 108.0(4) . . ?
F2 C3 C1 112.8(3) . . ?
F3 C3 F1 106.7(3) . . ?
F3 C3 C1 110.8(3) . . ?
F4 C4 C1 110.9(3) . . ?
F5 C4 F4 107.6(4) . . ?
F5 C4 F6 108.3(3) . . ?
F5 C4 C1 111.9(3) . . ?
F6 C4 F4 106.3(3) . . ?
F6 C4 C1 111.6(4) . . ?
C6 C5 P 100.6(2) . . ?
C6 C5 C12 114.5(3) . . ?
C6 C5 C18 113.5(3) . . ?
C12 C5 P 114.3(2) . . ?
C18 C5 P 108.0(3) . . ?
C18 C5 C12 106.1(3) . . ?
C7 C6 C5 120.6(3) . . ?
C11 C6 C5 122.8(4) . . ?
C11 C6 C7 116.4(4) . . ?
C6 C7 H7 119.1 . . ?
C8 C7 C6 121.8(4) . . ?
C8 C7 H7 119.1 . . ?
C7 C8 H8 119.7 . . ?
C7 C8 C9 120.7(4) . . ?
C9 C8 H8 119.7 . . ?
C8 C9 H9 120.7 . . ?
C10 C9 C8 118.6(4) . . ?
C10 C9 H9 120.7 . . ?
C9 C10 H10 119.3 . . ?
C11 C10 C9 121.4(4) . . ?
C11 C10 H10 119.3 . . ?
C6 C11 H11 119.5 . . ?
C10 C11 C6 121.0(4) . . ?
C10 C11 H11 119.5 . . ?
C13 C12 C5 124.2(4) . . ?
C17 C12 C5 118.5(4) . . ?
C17 C12 C13 117.0(4) . . ?
C12 C13 H13 119.4 . . ?
C14 C13 C12 121.3(4) . . ?
C14 C13 H13 119.4 . . ?
C13 C14 H14 119.7 . . ?
C15 C14 C13 120.5(4) . . ?
C15 C14 H14 119.7 . . ?
C14 C15 H15 120.3 . . ?
C16 C15 C14 119.4(4) . . ?
C16 C15 H15 120.3 . . ?
C15 C16 H16 120.2 . . ?
C15 C16 C17 119.7(5) . . ?
C17 C16 H16 120.2 . . ?
C12 C17 C16 122.0(4) . . ?
C12 C17 H17 119.0 . . ?
C16 C17 H17 119.0 . . ?
C19 C18 C5 119.2(3) . . ?
C23 C18 C5 123.2(3) . . ?
C23 C18 C19 117.4(4) . . ?
C18 C19 H19 119.5 . . ?
C20 C19 C18 121.1(4) . . ?
C20 C19 H19 119.5 . . ?
C19 C20 H20 119.7 . . ?
C19 C20 C21 120.7(4) . . ?
C21 C20 H20 119.7 . . ?
C20 C21 H21 120.5 . . ?
C20 C21 C22 118.9(4) . . ?
C22 C21 H21 120.5 . . ?
C21 C22 H22 119.9 . . ?
C23 C22 C21 120.3(4) . . ?
C23 C22 H22 119.9 . . ?
C18 C23 H23 119.3 . . ?
C22 C23 C18 121.3(4) . . ?
C22 C23 H23 119.3 . . ?
O2 C24 W 179.3(4) . . ?
O3 C25 W 175.3(4) . . ?
O4 C26 W 174.9(4) . . ?
O5 C27 W 174.1(4) . . ?
O6 C28 W 179.9(5) . . ?
C24' W1' P1' 176.42(12) . . ?
C24' W1' C25' 85.12(17) . . ?
C24' W1' C26' 91.10(17) . . ?
C24' W1' C27' 87.37(17) . . ?
C24' W1' C28' 89.80(17) . . ?
C25' W1' P1' 91.59(13) . . ?
C25' W1' C26' 92.53(17) . . ?
C25' W1' C28' 85.35(18) . . ?
C26' W1' P1' 87.62(12) . . ?
C27' W1' P1' 96.01(13) . . ?
C27' W1' C25' 171.42(18) . . ?
C27' W1' C26' 91.74(17) . . ?
C27' W1' C28' 90.50(17) . . ?
C28' W1' P1' 91.35(12) . . ?
C28' W1' C26' 177.62(16) . . ?
O1' P1' W1' 120.44(11) . . ?
O1' P1' C2' 77.60(16) . . ?
O1' P1' C5' 104.85(16) . . ?
C2' P1' W1' 115.44(14) . . ?
C2' P1' C5' 111.42(18) . . ?
C5' P1' W1' 119.57(12) . . ?
C1' O1' P1' 95.0(2) . . ?
O1' C1' C2' 96.9(3) . . ?
O1' C1' C3' 113.0(3) . . ?
O1' C1' C4' 109.7(3) . . ?
C2' C1' C3' 113.2(4) . . ?
C2' C1' C4' 114.9(3) . . ?
C3' C1' C4' 108.7(3) . . ?
P1' C2' H2'A 113.7 . . ?
P1' C2' H2'B 113.7 . . ?
C1' C2' P1' 89.6(2) . . ?
C1' C2' H2'A 113.7 . . ?
C1' C2' H2'B 113.7 . . ?
H2'A C2' H2'B 111.0 . . ?
F1' C3' C1' 109.6(4) . . ?
F2' C3' F1' 108.1(4) . . ?
F2' C3' F3' 108.4(4) . . ?
F2' C3' C1' 111.3(4) . . ?
F3' C3' F1' 106.2(4) . . ?
F3' C3' C1' 113.0(4) . . ?
F4' C4' C1' 111.7(3) . . ?
F5' C4' F4' 106.3(3) . . ?
F5' C4' C1' 111.8(4) . . ?
F6' C4' F4' 107.5(4) . . ?
F6' C4' F5' 108.0(3) . . ?
F6' C4' C1' 111.3(3) . . ?
C6' C5' P1' 108.3(3) . . ?
C6' C5' C12' 106.0(3) . . ?
C6' C5' C18' 113.8(3) . . ?
C12' C5' P1' 114.2(2) . . ?
C12' C5' C18' 114.1(3) . . ?
C18' C5' P1' 100.5(2) . . ?
C7' C6' C5' 124.2(3) . . ?
C7' C6' C11' 116.9(4) . . ?
C11' C6' C5' 118.5(3) . . ?
C6' C7' H7' 119.3 . . ?
C8' C7' C6' 121.4(4) . . ?
C8' C7' H7' 119.3 . . ?
C7' C8' H8' 119.8 . . ?
C9' C8' C7' 120.4(4) . . ?
C9' C8' H8' 119.8 . . ?
C8' C9' H9' 120.3 . . ?
C8' C9' C10' 119.5(4) . . ?
C10' C9' H9' 120.3 . . ?
C9' C10' H10' 119.9 . . ?
C9' C10' C11' 120.3(4) . . ?
C11' C10' H10' 119.9 . . ?
C6' C11' H11' 119.3 . . ?
C10' C11' C6' 121.4(4) . . ?
C10' C11' H11' 119.3 . . ?
C13' C12' C5' 117.9(3) . . ?
C17' C12' C5' 124.9(4) . . ?
C17' C12' C13' 117.0(4) . . ?
C12' C13' H13' 119.2 . . ?
C14' C13' C12' 121.6(4) . . ?
C14' C13' H13' 119.2 . . ?
C13' C14' H14' 119.7 . . ?
C15' C14' C13' 120.5(4) . . ?
C15' C14' H14' 119.7 . . ?
C14' C15' H15' 120.5 . . ?
C14' C15' C16' 119.0(4) . . ?
C16' C15' H15' 120.5 . . ?
C15' C16' H16' 119.6 . . ?
C15' C16' C17' 120.8(4) . . ?
C17' C16' H16' 119.6 . . ?
C12' C17' C16' 121.0(4) . . ?
C12' C17' H17' 119.5 . . ?
C16' C17' H17' 119.5 . . ?
C19' C18' C5' 122.5(3) . . ?
C19' C18' C23' 117.3(4) . . ?
C23' C18' C5' 120.1(3) . . ?
C18' C19' H19' 119.3 . . ?
C20' C19' C18' 121.4(4) . . ?
C20' C19' H19' 119.3 . . ?
C19' C20' H20' 119.6 . . ?
C21' C20' C19' 120.7(4) . . ?
C21' C20' H20' 119.6 . . ?
C20' C21' H21' 120.6 . . ?
C20' C21' C22' 118.7(4) . . ?
C22' C21' H21' 120.6 . . ?
C21' C22' H22' 119.5 . . ?
C23' C22' C21' 121.0(4) . . ?
C23' C22' H22' 119.5 . . ?
C18' C23' H23' 119.7 . . ?
C22' C23' C18' 120.7(4) . . ?
C22' C23' H23' 119.7 . . ?
O2' C24' W1' 179.1(4) . . ?
O3' C25' W1' 174.3(4) . . ?
O4' C26' W1' 177.7(4) . . ?
O5' C27' W1' 174.3(4) . . ?
O6' C28' W1' 175.3(4) . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
W P O1 C1 -109.9(2) . . . . ?
W P C2 C1 110.9(2) . . . . ?
P O1 C1 C2 -8.2(3) . . . . ?
P O1 C1 C3 -128.9(3) . . . . ?
P O1 C1 C4 111.2(3) . . . . ?
P C5 C6 C7 65.7(4) . . . . ?
P C5 C6 C11 -110.0(4) . . . . ?
P C5 C12 C13 -112.4(4) . . . . ?
P C5 C12 C17 72.7(4) . . . . ?
P C5 C18 C19 165.7(3) . . . . ?
P C5 C18 C23 -19.6(5) . . . . ?
O1 P C2 C1 -6.4(2) . . . . ?
O1 C1 C2 P 7.6(3) . . . . ?
O1 C1 C3 F1 -154.0(3) . . . . ?
O1 C1 C3 F2 86.1(4) . . . . ?
O1 C1 C3 F3 -35.2(5) . . . . ?
O1 C1 C4 F4 -40.0(5) . . . . ?
O1 C1 C4 F5 -160.2(3) . . . . ?
O1 C1 C4 F6 78.3(4) . . . . ?
C2 P O1 C1 6.9(2) . . . . ?
C2 C1 C3 F1 95.7(4) . . . . ?
C2 C1 C3 F2 -24.2(5) . . . . ?
C2 C1 C3 F3 -145.5(3) . . . . ?
C2 C1 C4 F4 68.9(4) . . . . ?
C2 C1 C4 F5 -51.3(5) . . . . ?
C2 C1 C4 F6 -172.8(3) . . . . ?
C3 C1 C2 P 125.8(3) . . . . ?
C3 C1 C4 F4 -161.8(3) . . . . ?
C3 C1 C4 F5 78.0(4) . . . . ?
C3 C1 C4 F6 -43.5(4) . . . . ?
C4 C1 C2 P -108.3(3) . . . . ?
C4 C1 C3 F1 -33.3(5) . . . . ?
C4 C1 C3 F2 -153.2(3) . . . . ?
C4 C1 C3 F3 85.5(4) . . . . ?
C5 P O1 C1 115.3(2) . . . . ?
C5 P C2 C1 -108.6(2) . . . . ?
C5 C6 C7 C8 -179.4(4) . . . . ?
C5 C6 C11 C10 179.2(4) . . . . ?
C5 C12 C13 C14 -177.2(4) . . . . ?
C5 C12 C17 C16 177.7(4) . . . . ?
C5 C18 C19 C20 -179.6(4) . . . . ?
C5 C18 C23 C22 -179.3(4) . . . . ?
C6 C5 C12 C13 2.9(5) . . . . ?
C6 C5 C12 C17 -172.0(3) . . . . ?
C6 C5 C18 C19 55.0(5) . . . . ?
C6 C5 C18 C23 -130.2(4) . . . . ?
C6 C7 C8 C9 2.1(7) . . . . ?
C7 C6 C11 C10 3.3(6) . . . . ?
C7 C8 C9 C10 -0.4(7) . . . . ?
C8 C9 C10 C11 0.3(7) . . . . ?
C9 C10 C11 C6 -1.9(7) . . . . ?
C11 C6 C7 C8 -3.5(6) . . . . ?
C12 C5 C6 C7 -57.3(5) . . . . ?
C12 C5 C6 C11 127.0(4) . . . . ?
C12 C5 C18 C19 -71.5(4) . . . . ?
C12 C5 C18 C23 103.3(4) . . . . ?
C12 C13 C14 C15 0.5(6) . . . . ?
C13 C12 C17 C16 2.5(6) . . . . ?
C13 C14 C15 C16 1.3(7) . . . . ?
C14 C15 C16 C17 -1.1(7) . . . . ?
C15 C16 C17 C12 -0.8(7) . . . . ?
C17 C12 C13 C14 -2.3(6) . . . . ?
C18 C5 C6 C7 -179.3(3) . . . . ?
C18 C5 C6 C11 5.1(5) . . . . ?
C18 C5 C12 C13 128.8(4) . . . . ?
C18 C5 C12 C17 -46.1(4) . . . . ?
C18 C19 C20 C21 -1.7(6) . . . . ?
C19 C18 C23 C22 -4.5(6) . . . . ?
C19 C20 C21 C22 -3.0(6) . . . . ?
C20 C21 C22 C23 3.9(6) . . . . ?
C21 C22 C23 C18 -0.1(6) . . . . ?
C23 C18 C19 C20 5.4(6) . . . . ?
W1' P1' O1' C1' 105.3(2) . . . . ?
W1' P1' C2' C1' -111.2(2) . . . . ?
P1' O1' C1' C2' 8.4(3) . . . . ?
P1' O1' C1' C3' 127.2(3) . . . . ?
P1' O1' C1' C4' -111.2(3) . . . . ?
P1' C5' C6' C7' 17.4(5) . . . . ?
P1' C5' C6' C11' -169.9(3) . . . . ?
P1' C5' C12' C13' -73.3(4) . . . . ?
P1' C5' C12' C17' 111.9(4) . . . . ?
P1' C5' C18' C19' 111.4(4) . . . . ?
P1' C5' C18' C23' -65.8(4) . . . . ?
O1' P1' C2' C1' 6.8(2) . . . . ?
O1' C1' C2' P1' -7.9(3) . . . . ?
O1' C1' C3' F1' 163.0(3) . . . . ?
O1' C1' C3' F2' 43.4(5) . . . . ?
O1' C1' C3' F3' -78.8(5) . . . . ?
O1' C1' C4' F4' 33.2(5) . . . . ?
O1' C1' C4' F5' -85.8(4) . . . . ?
O1' C1' C4' F6' 153.4(3) . . . . ?
C2' P1' O1' C1' -7.1(2) . . . . ?
C2' C1' C3' F1' -88.2(4) . . . . ?
C2' C1' C3' F2' 152.3(3) . . . . ?
C2' C1' C3' F3' 30.1(5) . . . . ?
C2' C1' C4' F4' -74.7(5) . . . . ?
C2' C1' C4' F5' 166.4(3) . . . . ?
C2' C1' C4' F6' 45.5(5) . . . . ?
C3' C1' C2' P1' -126.7(3) . . . . ?
C3' C1' C4' F4' 157.3(4) . . . . ?
C3' C1' C4' F5' 38.4(5) . . . . ?
C3' C1' C4' F6' -82.5(5) . . . . ?
C4' C1' C2' P1' 107.6(3) . . . . ?
C4' C1' C3' F1' 40.8(5) . . . . ?
C4' C1' C3' F2' -78.7(4) . . . . ?
C4' C1' C3' F3' 159.0(4) . . . . ?
C5' P1' O1' C1' -116.3(2) . . . . ?
C5' P1' C2' C1' 108.1(3) . . . . ?
C5' C6' C7' C8' 175.9(4) . . . . ?
C5' C6' C11' C10' -176.9(4) . . . . ?
C5' C12' C13' C14' -177.7(4) . . . . ?
C5' C12' C17' C16' 176.6(4) . . . . ?
C5' C18' C19' C20' 179.8(4) . . . . ?
C5' C18' C23' C22' 179.6(4) . . . . ?
C6' C5' C12' C13' 45.7(4) . . . . ?
C6' C5' C12' C17' -129.0(4) . . . . ?
C6' C5' C18' C19' -4.1(5) . . . . ?
C6' C5' C18' C23' 178.7(3) . . . . ?
C6' C7' C8' C9' -0.2(6) . . . . ?
C7' C6' C11' C10' -3.6(6) . . . . ?
C7' C8' C9' C10' -2.4(6) . . . . ?
C8' C9' C10' C11' 1.9(6) . . . . ?
C9' C10' C11' C6' 1.2(6) . . . . ?
C11' C6' C7' C8' 3.1(6) . . . . ?
C12' C5' C6' C7' -105.5(4) . . . . ?
C12' C5' C6' C11' 67.2(4) . . . . ?
C12' C5' C18' C19' -125.9(4) . . . . ?
C12' C5' C18' C23' 56.9(5) . . . . ?
C12' C13' C14' C15' 1.0(7) . . . . ?
C13' C12' C17' C16' 1.9(6) . . . . ?
C13' C14' C15' C16' 1.3(7) . . . . ?
C14' C15' C16' C17' -2.0(6) . . . . ?
C15' C16' C17' C12' 0.3(6) . . . . ?
C17' C12' C13' C14' -2.6(6) . . . . ?
C18' C5' C6' C7' 128.2(4) . . . . ?
C18' C5' C6' C11' -59.1(5) . . . . ?
C18' C5' C12' C13' 171.8(3) . . . . ?
C18' C5' C12' C17' -2.9(5) . . . . ?
C18' C19' C20' C21' 2.1(6) . . . . ?
C19' C18' C23' C22' 2.3(6) . . . . ?
C19' C20' C21' C22' -0.6(6) . . . . ?
C20' C21' C22' C23' -0.1(6) . . . . ?
C21' C22' C23' C18' -0.8(6) . . . . ?
C23' C18' C19' C20' -2.9(6) . . . . ?

_shelx_SHELXL_version_number     2014/7
_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_4737
_database_code_depnum_ccdc_archive 'CCDC 1526598'
_audit_update_record             
;
2017-01-10 deposited with the CCDC.
2017-02-03 downloaded from the CCDC.
;
_audit_creation_date             2016-07-29
_audit_creation_method           
;
Olex2 1.2
(compiled 2015.09.21 svn.r3230 for OlexSys, GUI svn.r5103)
;
_shelxl_version_number           2013-2
_chemical_name_common            ?
_chemical_name_systematic        PB-35
_chemical_formula_moiety         'C30 H23 F6 O7 P Si W'
_chemical_formula_sum            'C30 H23 F6 O7 P Si W'
_chemical_formula_weight         852.39
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si 0.0817 0.0704 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
W W -0.8490 6.8722 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   8.9870(3)
_cell_length_b                   13.1455(3)
_cell_length_c                   13.3173(2)
_cell_angle_alpha                87.0836(15)
_cell_angle_beta                 82.7857(15)
_cell_angle_gamma                89.8868(13)
_cell_volume                     1558.80(7)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    5798
_cell_measurement_temperature    123
_cell_measurement_theta_max      29.13
_cell_measurement_theta_min      1.00
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    3.877
_exptl_absorpt_correction_T_max  1.071
_exptl_absorpt_correction_T_min  0.5781
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   ?
_exptl_crystal_colour            'clear colourless'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.816
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       plate
_exptl_crystal_F_000             832
_exptl_crystal_size_max          0.22
_exptl_crystal_size_mid          0.14
_exptl_crystal_size_min          0.1
_exptl_special_details           
;
 ?
;
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0446
_diffrn_reflns_av_unetI/netI     0.0371
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            20755
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_theta_full        26.000
_diffrn_reflns_theta_max         27.999
_diffrn_reflns_theta_min         2.591
_diffrn_ambient_temperature      123
_diffrn_detector_area_resol_mean 8
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Nonius KappaCCD'
_diffrn_measurement_method       'fine slicing ω and φ scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'sealed tube'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                7053
_reflns_number_total             7500
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       ?
_computing_data_collection       ?
_computing_data_reduction        ?
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'XS (Sheldrick, 2008)'
_refine_diff_density_max         1.141
_refine_diff_density_min         -1.740
_refine_diff_density_rms         0.154
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.025
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     417
_refine_ls_number_reflns         7500
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0277
_refine_ls_R_factor_gt           0.0249
_refine_ls_restrained_S_all      1.025
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
;
 w=1/[σ²(Fo²)+(0.0224P)²+2.0713P]
 where P=(Fo²+2Fc²)/3
;
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0582
_refine_ls_wR_factor_ref         0.0598
_refine_special_details          
;
 ?
;
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Secondary CH2 refined with riding coordinates:
 C2(H2A,H2B)
2.b Aromatic/amide H refined with riding coordinates:
 C9(H9), C10(H10), C11(H11), C12(H12), C13(H13), C15(H15), C16(H16), C17(H17),
 C18(H18), C19(H19), C21(H21), C22(H22), C23(H23), C24(H24), C25(H25)
2.c Idealised Me refined as rotating group:
 C3(H3A,H3B,H3C), C4(H4A,H4B,H4C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
W W 0.72701(2) 0.82418(2) 0.54809(2) 0.01911(4) Uani 1 1 d . . . . .
P P 0.70739(7) 0.76208(5) 0.73286(5) 0.01585(12) Uani 1 1 d . . . . .
Si Si 0.94548(10) 0.61043(6) 0.74400(7) 0.02701(17) Uani 1 1 d . . . . .
F1 F 0.4769(3) 0.46819(17) 0.88068(18) 0.0519(6) Uani 1 1 d . . . . .
F2 F 0.6959(3) 0.50559(14) 0.91590(14) 0.0401(5) Uani 1 1 d . . . . .
F3 F 0.6659(3) 0.37611(14) 0.82926(17) 0.0536(6) Uani 1 1 d . . . . .
F4 F 0.6372(3) 0.40413(15) 0.63615(17) 0.0490(6) Uani 1 1 d . . . . .
F5 F 0.5919(3) 0.55359(15) 0.57765(16) 0.0483(6) Uani 1 1 d . . . . .
F6 F 0.4309(3) 0.47797(18) 0.68843(19) 0.0547(6) Uani 1 1 d . . . . .
O1 O 0.8651(2) 0.72216(14) 0.76752(14) 0.0205(4) Uani 1 1 d . . . . .
O2 O 0.8060(2) 0.53928(15) 0.71406(16) 0.0274(4) Uani 1 1 d . . . . .
O3 O 0.7322(3) 0.9095(2) 0.32274(16) 0.0415(6) Uani 1 1 d . . . . .
O4 O 0.3974(3) 0.74073(19) 0.53701(18) 0.0383(5) Uani 1 1 d . . . . .
O5 O 0.6067(2) 1.05042(16) 0.56986(15) 0.0267(4) Uani 1 1 d . . . . .
O6 O 1.0621(3) 0.89787(18) 0.55844(17) 0.0328(5) Uani 1 1 d . . . . .
O7 O 0.8605(4) 0.6266(2) 0.4445(2) 0.0636(9) Uani 1 1 d . . . . .
C1 C 0.6504(3) 0.54135(19) 0.7460(2) 0.0214(5) Uani 1 1 d . . . . .
C2 C 0.5829(3) 0.64879(19) 0.7679(2) 0.0199(5) Uani 1 1 d . . . . .
H2A H 0.5475 0.6495 0.8414 0.024 Uiso 1 1 calc R . . . .
H2B H 0.4936 0.6573 0.7317 0.024 Uiso 1 1 calc R . . . .
C3 C 1.0221(4) 0.5592(3) 0.8582(3) 0.0449(9) Uani 1 1 d . . . . .
H3A H 1.1205 0.5901 0.8614 0.067 Uiso 1 1 calc GR . . . .
H3B H 1.0327 0.4852 0.8554 0.067 Uiso 1 1 calc GR . . . .
H3C H 0.9539 0.5752 0.9186 0.067 Uiso 1 1 calc GR . . . .
C4 C 1.0909(4) 0.6183(3) 0.6341(3) 0.0417(8) Uani 1 1 d . . . . .
H4A H 1.0496 0.6508 0.5759 0.063 Uiso 1 1 calc GR . . . .
H4B H 1.1253 0.5496 0.6178 0.063 Uiso 1 1 calc GR . . . .
H4C H 1.1757 0.6587 0.6500 0.063 Uiso 1 1 calc GR . . . .
C5 C 0.6209(4) 0.4710(2) 0.8431(3) 0.0340(7) Uani 1 1 d . . . . .
C6 C 0.5778(4) 0.4934(2) 0.6605(3) 0.0333(7) Uani 1 1 d . . . . .
C7 C 0.6383(3) 0.85394(18) 0.84000(18) 0.0148(5) Uani 1 1 d . . . . .
C8 C 0.6793(3) 0.96317(18) 0.79915(18) 0.0155(5) Uani 1 1 d . . . . .
C9 C 0.8275(3) 0.9857(2) 0.75921(19) 0.0187(5) Uani 1 1 d . . . . .
H9 H 0.8994 0.9326 0.7542 0.022 Uiso 1 1 calc R . . . .
C10 C 0.8716(3) 1.0845(2) 0.7266(2) 0.0237(6) Uani 1 1 d . . . . .
H10 H 0.9726 1.0984 0.6990 0.028 Uiso 1 1 calc R . . . .
C11 C 0.7673(4) 1.1630(2) 0.7345(2) 0.0263(6) Uani 1 1 d . . . . .
H11 H 0.7962 1.2304 0.7112 0.032 Uiso 1 1 calc R . . . .
C12 C 0.6214(3) 1.1422(2) 0.7764(2) 0.0235(6) Uani 1 1 d . . . . .
H12 H 0.5505 1.1959 0.7832 0.028 Uiso 1 1 calc R . . . .
C13 C 0.5771(3) 1.04285(19) 0.80880(19) 0.0190(5) Uani 1 1 d . . . . .
H13 H 0.4765 1.0296 0.8377 0.023 Uiso 1 1 calc R . . . .
C14 C 0.4676(3) 0.83951(18) 0.86026(19) 0.0161(5) Uani 1 1 d . . . . .
C15 C 0.3804(3) 0.8558(2) 0.7807(2) 0.0193(5) Uani 1 1 d . . . . .
H15 H 0.4281 0.8764 0.7151 0.023 Uiso 1 1 calc R . . . .
C16 C 0.2260(3) 0.8425(2) 0.7958(2) 0.0232(6) Uani 1 1 d . . . . .
H16 H 0.1697 0.8530 0.7404 0.028 Uiso 1 1 calc R . . . .
C17 C 0.1530(3) 0.8139(2) 0.8914(2) 0.0256(6) Uani 1 1 d . . . . .
H17 H 0.0472 0.8048 0.9019 0.031 Uiso 1 1 calc R . . . .
C18 C 0.2377(3) 0.7988(2) 0.9712(2) 0.0260(6) Uani 1 1 d . . . . .
H18 H 0.1892 0.7796 1.0370 0.031 Uiso 1 1 calc R . . . .
C19 C 0.3928(3) 0.8115(2) 0.9560(2) 0.0206(5) Uani 1 1 d . . . . .
H19 H 0.4486 0.8009 1.0117 0.025 Uiso 1 1 calc R . . . .
C20 C 0.7149(3) 0.8319(2) 0.93671(19) 0.0172(5) Uani 1 1 d . . . . .
C21 C 0.7731(3) 0.9110(2) 0.98652(19) 0.0202(5) Uani 1 1 d . . . . .
H21 H 0.7687 0.9789 0.9590 0.024 Uiso 1 1 calc R . . . .
C22 C 0.8373(3) 0.8925(2) 1.0756(2) 0.0250(6) Uani 1 1 d . . . . .
H22 H 0.8762 0.9476 1.1080 0.030 Uiso 1 1 calc R . . . .
C23 C 0.8446(3) 0.7940(2) 1.1170(2) 0.0261(6) Uani 1 1 d . . . . .
H23 H 0.8900 0.7809 1.1770 0.031 Uiso 1 1 calc R . . . .
C24 C 0.7852(4) 0.7156(2) 1.0702(2) 0.0273(6) Uani 1 1 d . . . . .
H24 H 0.7883 0.6479 1.0986 0.033 Uiso 1 1 calc R . . . .
C25 C 0.7208(3) 0.7343(2) 0.9814(2) 0.0235(6) Uani 1 1 d . . . . .
H25 H 0.6797 0.6790 0.9506 0.028 Uiso 1 1 calc R . . . .
C26 C 0.7332(3) 0.8766(2) 0.4034(2) 0.0269(6) Uani 1 1 d . . . . .
C27 C 0.5152(3) 0.7713(2) 0.5421(2) 0.0247(6) Uani 1 1 d . . . . .
C28 C 0.6487(3) 0.9682(2) 0.57156(19) 0.0199(5) Uani 1 1 d . . . . .
C29 C 0.9416(3) 0.8720(2) 0.5550(2) 0.0225(6) Uani 1 1 d . . . . .
C30 C 0.8126(4) 0.6939(3) 0.4891(3) 0.0379(8) Uani 1 1 d . . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
W P 2.5376(7) . ?
W C26 2.007(3) . ?
W C27 2.040(3) . ?
W C28 2.044(3) . ?
W C29 2.044(3) . ?
W C30 2.030(3) . ?
P O1 1.623(2) . ?
P C2 1.869(3) . ?
P C7 1.957(3) . ?
Si O1 1.662(2) . ?
Si O2 1.665(2) . ?
Si C3 1.844(4) . ?
Si C4 1.834(4) . ?
F1 C5 1.327(4) . ?
F2 C5 1.347(4) . ?
F3 C5 1.326(4) . ?
F4 C6 1.326(4) . ?
F5 C6 1.318(4) . ?
F6 C6 1.339(4) . ?
O2 C1 1.410(3) . ?
O3 C26 1.139(4) . ?
O4 C27 1.144(4) . ?
O5 C28 1.144(3) . ?
O6 C29 1.143(4) . ?
O7 C30 1.145(4) . ?
C1 C2 1.563(4) . ?
C1 C5 1.545(4) . ?
C1 C6 1.544(4) . ?
C2 H2A 0.9900 . ?
C2 H2B 0.9900 . ?
C3 H3A 0.9800 . ?
C3 H3B 0.9800 . ?
C3 H3C 0.9800 . ?
C4 H4A 0.9800 . ?
C4 H4B 0.9800 . ?
C4 H4C 0.9800 . ?
C7 C8 1.538(3) . ?
C7 C14 1.535(3) . ?
C7 C20 1.549(3) . ?
C8 C9 1.397(4) . ?
C8 C13 1.392(4) . ?
C9 H9 0.9500 . ?
C9 C10 1.391(4) . ?
C10 H10 0.9500 . ?
C10 C11 1.391(4) . ?
C11 H11 0.9500 . ?
C11 C12 1.381(4) . ?
C12 H12 0.9500 . ?
C12 C13 1.397(4) . ?
C13 H13 0.9500 . ?
C14 C15 1.403(4) . ?
C14 C19 1.397(4) . ?
C15 H15 0.9500 . ?
C15 C16 1.387(4) . ?
C16 H16 0.9500 . ?
C16 C17 1.392(4) . ?
C17 H17 0.9500 . ?
C17 C18 1.390(4) . ?
C18 H18 0.9500 . ?
C18 C19 1.392(4) . ?
C19 H19 0.9500 . ?
C20 C21 1.398(4) . ?
C20 C25 1.391(4) . ?
C21 H21 0.9500 . ?
C21 C22 1.393(4) . ?
C22 H22 0.9500 . ?
C22 C23 1.387(4) . ?
C23 H23 0.9500 . ?
C23 C24 1.374(4) . ?
C24 H24 0.9500 . ?
C24 C25 1.391(4) . ?
C25 H25 0.9500 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C26 W P 177.30(8) . . ?
C26 W C27 88.72(12) . . ?
C26 W C28 80.73(11) . . ?
C26 W C29 92.21(11) . . ?
C26 W C30 85.42(13) . . ?
C27 W P 89.56(8) . . ?
C27 W C28 91.29(11) . . ?
C27 W C29 177.99(11) . . ?
C28 W P 97.23(7) . . ?
C29 W P 89.58(7) . . ?
C29 W C28 90.62(11) . . ?
C30 W P 96.66(10) . . ?
C30 W C27 89.89(14) . . ?
C30 W C28 166.07(12) . . ?
C30 W C29 88.41(13) . . ?
O1 P W 113.69(7) . . ?
O1 P C2 101.81(11) . . ?
O1 P C7 101.67(10) . . ?
C2 P W 114.98(9) . . ?
C2 P C7 101.91(11) . . ?
C7 P W 120.28(7) . . ?
O1 Si O2 103.66(11) . . ?
O1 Si C3 109.34(15) . . ?
O1 Si C4 112.58(13) . . ?
O2 Si C3 112.45(15) . . ?
O2 Si C4 107.57(15) . . ?
C4 Si C3 111.05(19) . . ?
P O1 Si 126.51(12) . . ?
C1 O2 Si 131.04(18) . . ?
O2 C1 C2 115.7(2) . . ?
O2 C1 C5 107.1(2) . . ?
O2 C1 C6 105.0(2) . . ?
C5 C1 C2 109.3(2) . . ?
C6 C1 C2 110.8(2) . . ?
C6 C1 C5 108.8(2) . . ?
P C2 H2A 107.9 . . ?
P C2 H2B 107.9 . . ?
C1 C2 P 117.63(19) . . ?
C1 C2 H2A 107.9 . . ?
C1 C2 H2B 107.9 . . ?
H2A C2 H2B 107.2 . . ?
Si C3 H3A 109.5 . . ?
Si C3 H3B 109.5 . . ?
Si C3 H3C 109.5 . . ?
H3A C3 H3B 109.5 . . ?
H3A C3 H3C 109.5 . . ?
H3B C3 H3C 109.5 . . ?
Si C4 H4A 109.5 . . ?
Si C4 H4B 109.5 . . ?
Si C4 H4C 109.5 . . ?
H4A C4 H4B 109.5 . . ?
H4A C4 H4C 109.5 . . ?
H4B C4 H4C 109.5 . . ?
F1 C5 F2 106.6(3) . . ?
F1 C5 C1 112.2(3) . . ?
F2 C5 C1 110.1(2) . . ?
F3 C5 F1 108.0(3) . . ?
F3 C5 F2 106.4(3) . . ?
F3 C5 C1 113.2(3) . . ?
F4 C6 F6 107.2(3) . . ?
F4 C6 C1 112.7(3) . . ?
F5 C6 F4 107.6(3) . . ?
F5 C6 F6 107.3(3) . . ?
F5 C6 C1 111.2(2) . . ?
F6 C6 C1 110.6(3) . . ?
C8 C7 P 107.55(16) . . ?
C8 C7 C20 108.3(2) . . ?
C14 C7 P 105.68(16) . . ?
C14 C7 C8 111.0(2) . . ?
C14 C7 C20 112.1(2) . . ?
C20 C7 P 112.17(16) . . ?
C9 C8 C7 119.2(2) . . ?
C13 C8 C7 122.3(2) . . ?
C13 C8 C9 118.3(2) . . ?
C8 C9 H9 119.4 . . ?
C10 C9 C8 121.2(3) . . ?
C10 C9 H9 119.4 . . ?
C9 C10 H10 120.1 . . ?
C9 C10 C11 119.8(3) . . ?
C11 C10 H10 120.1 . . ?
C10 C11 H11 120.2 . . ?
C12 C11 C10 119.6(3) . . ?
C12 C11 H11 120.2 . . ?
C11 C12 H12 119.7 . . ?
C11 C12 C13 120.6(3) . . ?
C13 C12 H12 119.7 . . ?
C8 C13 C12 120.5(3) . . ?
C8 C13 H13 119.8 . . ?
C12 C13 H13 119.8 . . ?
C15 C14 C7 119.7(2) . . ?
C19 C14 C7 122.8(2) . . ?
C19 C14 C15 117.5(2) . . ?
C14 C15 H15 119.3 . . ?
C16 C15 C14 121.4(2) . . ?
C16 C15 H15 119.3 . . ?
C15 C16 H16 119.7 . . ?
C15 C16 C17 120.5(3) . . ?
C17 C16 H16 119.7 . . ?
C16 C17 H17 120.6 . . ?
C18 C17 C16 118.7(3) . . ?
C18 C17 H17 120.6 . . ?
C17 C18 H18 119.6 . . ?
C17 C18 C19 120.8(3) . . ?
C19 C18 H18 119.6 . . ?
C14 C19 H19 119.5 . . ?
C18 C19 C14 121.0(2) . . ?
C18 C19 H19 119.5 . . ?
C21 C20 C7 120.9(2) . . ?
C25 C20 C7 122.0(2) . . ?
C25 C20 C21 117.0(2) . . ?
C20 C21 H21 119.3 . . ?
C22 C21 C20 121.5(2) . . ?
C22 C21 H21 119.3 . . ?
C21 C22 H22 119.9 . . ?
C23 C22 C21 120.2(3) . . ?
C23 C22 H22 119.9 . . ?
C22 C23 H23 120.4 . . ?
C24 C23 C22 119.1(3) . . ?
C24 C23 H23 120.4 . . ?
C23 C24 H24 119.7 . . ?
C23 C24 C25 120.6(3) . . ?
C25 C24 H24 119.7 . . ?
C20 C25 H25 119.2 . . ?
C24 C25 C20 121.7(3) . . ?
C24 C25 H25 119.2 . . ?
O3 C26 W 177.0(3) . . ?
O4 C27 W 178.6(3) . . ?
O5 C28 W 170.2(2) . . ?
O6 C29 W 179.3(3) . . ?
O7 C30 W 171.6(3) . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
W P O1 Si -77.94(15) . . . . ?
W P C2 C1 82.4(2) . . . . ?
P C7 C8 C9 -53.4(3) . . . . ?
P C7 C8 C13 132.6(2) . . . . ?
P C7 C14 C15 -57.2(3) . . . . ?
P C7 C14 C19 123.5(2) . . . . ?
P C7 C20 C21 133.9(2) . . . . ?
P C7 C20 C25 -50.2(3) . . . . ?
Si O2 C1 C2 33.4(3) . . . . ?
Si O2 C1 C5 -88.7(3) . . . . ?
Si O2 C1 C6 155.8(2) . . . . ?
O1 P C2 C1 -41.0(2) . . . . ?
O1 Si O2 C1 -30.4(3) . . . . ?
O2 Si O1 P -18.16(18) . . . . ?
O2 C1 C2 P 8.2(3) . . . . ?
O2 C1 C5 F1 179.3(2) . . . . ?
O2 C1 C5 F2 60.7(3) . . . . ?
O2 C1 C5 F3 -58.2(3) . . . . ?
O2 C1 C6 F4 51.4(3) . . . . ?
O2 C1 C6 F5 -69.6(3) . . . . ?
O2 C1 C6 F6 171.4(2) . . . . ?
C2 P O1 Si 46.32(17) . . . . ?
C2 C1 C5 F1 53.3(3) . . . . ?
C2 C1 C5 F2 -65.2(3) . . . . ?
C2 C1 C5 F3 175.8(3) . . . . ?
C2 C1 C6 F4 176.9(2) . . . . ?
C2 C1 C6 F5 56.0(3) . . . . ?
C2 C1 C6 F6 -63.1(3) . . . . ?
C3 Si O1 P -138.28(18) . . . . ?
C3 Si O2 C1 87.6(3) . . . . ?
C4 Si O1 P 97.8(2) . . . . ?
C4 Si O2 C1 -149.9(2) . . . . ?
C5 C1 C2 P 129.1(2) . . . . ?
C5 C1 C6 F4 -62.9(3) . . . . ?
C5 C1 C6 F5 176.1(3) . . . . ?
C5 C1 C6 F6 57.0(3) . . . . ?
C6 C1 C2 P -111.1(2) . . . . ?
C6 C1 C5 F1 -67.8(3) . . . . ?
C6 C1 C5 F2 173.7(3) . . . . ?
C6 C1 C5 F3 54.7(4) . . . . ?
C7 P O1 Si 151.31(14) . . . . ?
C7 P C2 C1 -145.8(2) . . . . ?
C7 C8 C9 C10 -176.4(2) . . . . ?
C7 C8 C13 C12 176.0(2) . . . . ?
C7 C14 C15 C16 179.3(2) . . . . ?
C7 C14 C19 C18 -179.8(2) . . . . ?
C7 C20 C21 C22 177.7(2) . . . . ?
C7 C20 C25 C24 -177.8(3) . . . . ?
C8 C7 C14 C15 59.1(3) . . . . ?
C8 C7 C14 C19 -120.1(3) . . . . ?
C8 C7 C20 C21 15.3(3) . . . . ?
C8 C7 C20 C25 -168.7(2) . . . . ?
C8 C9 C10 C11 0.6(4) . . . . ?
C9 C8 C13 C12 1.9(4) . . . . ?
C9 C10 C11 C12 1.2(4) . . . . ?
C10 C11 C12 C13 -1.4(4) . . . . ?
C11 C12 C13 C8 -0.2(4) . . . . ?
C13 C8 C9 C10 -2.1(4) . . . . ?
C14 C7 C8 C9 -168.6(2) . . . . ?
C14 C7 C8 C13 17.4(3) . . . . ?
C14 C7 C20 C21 -107.4(3) . . . . ?
C14 C7 C20 C25 68.5(3) . . . . ?
C14 C15 C16 C17 1.0(4) . . . . ?
C15 C14 C19 C18 1.0(4) . . . . ?
C15 C16 C17 C18 -0.1(4) . . . . ?
C16 C17 C18 C19 -0.4(4) . . . . ?
C17 C18 C19 C14 -0.1(4) . . . . ?
C19 C14 C15 C16 -1.4(4) . . . . ?
C20 C7 C8 C9 68.0(3) . . . . ?
C20 C7 C8 C13 -106.0(3) . . . . ?
C20 C7 C14 C15 -179.7(2) . . . . ?
C20 C7 C14 C19 1.1(3) . . . . ?
C20 C21 C22 C23 -0.1(4) . . . . ?
C21 C20 C25 C24 -1.7(4) . . . . ?
C21 C22 C23 C24 -1.2(5) . . . . ?
C22 C23 C24 C25 1.0(5) . . . . ?
C23 C24 C25 C20 0.5(5) . . . . ?
C25 C20 C21 C22 1.6(4) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
